1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide

Formula:C24H26N10O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C24H26N10O2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2ccncc2)=O)c1CN1CCC(Cc2ccccc2)CC1
InChI	InChI=1S/C24H26N10O2/c25-22-23(31-36-30-22)34-20(16-33-12-8-18(9-13-33)14-17-4-2-1-3-5-17)21(28-32-34)24(35)29-27-15-19-6-10-26-11-7-19/h1-7,10-11,15,18H,8-9,12-14,16H2,(H2,25,30)(H,29,35)
InChIK	IDICOJJNBFUDRO-UHFFFAOYSA-N
TotalMolweight	486.538
Molweight	486.538
MonoisotopicMass	486.22402
CLogP	3.2156
CLogS	-2.422
H Acceptors	12
H Donors	2
TotalSurfaceArea	379.58
Relative PSA	0.34422
PolarSurfaceArea	153.24
Druglikeness	5.4704
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	8
Symmetricatoms	6
Amines	1
AlkylAmines	1
Aromatic Nitrogens	6
BasicNitrogens	1
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide

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