N,N'-bis[(Z)-pyridin-2-ylmethylideneamino]propanediamide

Formula:C15H14N6O2 Mutagenic:low Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-pyridin-2-ylmethylideneamino]propanediamide is a drug-like molecule.

MolNameN,N'-bis[(Z)-pyridin-2-ylmethylideneamino]propanediamide
MolecularFormulaC15H14N6O2
SmilesO=C(CC(N/N=C\c1ncccc1)=O)N/N=C\c1ncccc1
InChIInChI=1S/C15H14N6O2/c22-14(20-18-10-12-5-1-3-7-16-12)9-15(23)21-19-11-13-6-2-4-8-17-13/h1-8,10-11H,9H2,(H,20,22)(H,21,23)
InChIKXAQKFAPADNIIMD-UHFFFAOYSA-N
TotalMolweight310.316
Molweight310.316
MonoisotopicMass310.117824
CLogP1.099
CLogS-2.846
H Acceptors8
H Donors2
TotalSurfaceArea252.24
Relative PSA0.3725
PolarSurfaceArea108.7
Druglikeness1.5105
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.73913
Fragments1
Non HAtoms23
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms11
Aromatic Nitrogens2
StereoCon

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