2-amino-4-(cyanomethyl)-6-[(3S)-3-hydroxypiperidin-1-yl]pyridine-3,5-dicarbonitrile

Formula:C14H14N6O Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-amino-4-(cyanomethyl)-6-[(3S)-3-hydroxypiperidin-1-yl]pyridine-3,5-dicarbonitrile is a drug-like molecule.

MolName	2-amino-4-(cyanomethyl)-6-[(3S)-3-hydroxypiperidin-1-yl]pyridine-3,5-dicarbonitrile
MolecularFormula	C14H14N6O
Smiles	Nc(nc(c(C#N)c1CC#N)N(CCC2)C[C@H]2O)c1C#N
InChI	InChI=1S/C14H14N6O/c15-4-3-10-11(6-16)13(18)19-14(12(10)7-17)20-5-1-2-9(21)8-20/h9,21H,1-3,5,8H2,(H2,18,19)/t9-/m0/s1
InChIK	QDLQQZLBGTXWHQ-VIFPVBQESA-N
TotalMolweight	282.306
Molweight	282.306
MonoisotopicMass	282.122909
CLogP	0.3414
CLogS	-4.737
H Acceptors	7
H Donors	2
TotalSurfaceArea	230.12
Relative PSA	0.36316
PolarSurfaceArea	133.75
Druglikeness	-4.1523
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47619
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	this enantiomer

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