3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
Molecular Formula : C19H24N5O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide is a drug-like molecule.
MolName : 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide |
MolecularFormula : C19H24N5O |
Smiles : O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c1ccncc1 |
InChI : InChI=1S/C19H23N5O/c25-19(22-21-16-17-6-9-20-10-7-17)8-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18/h1-7,9-10,16H,8,11-15H2,(H,22,25)/p+1 |
InChIK : AZANHDBNKYMICS-UHFFFAOYSA-O |
TotalMolweight : 338.434 |
Molweight : 338.434 |
MonoisotopicMass : 338.198085 |
CLogP : -0.0313 |
CLogS : -2.563 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 289.45 |
Relative PSA : 0.23534 |
PolarSurfaceArea : 62.03 |
Druglikeness : 5.8039 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.72 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 6 |
Amines : 2 |
AlkylAmines : 1 |
Aromatic Amines : 1 |
Aromatic Nitrogens : 1 |
BasicNitrogens : 1 |
StereoCon : |