4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]-N-pyridin-3-ylbenzamide

Formula:C20H16N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]-N-pyridin-3-ylbenzamide is a drug-like molecule.

MolName	4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]-N-pyridin-3-ylbenzamide
MolecularFormula	C20H16N4O2
Smiles	O=C(/C=C/c(cc1)ccc1C(Nc1cnccc1)=O)Nc1cnccc1
InChI	InChI=1S/C20H16N4O2/c25-19(23-17-3-1-11-21-13-17)10-7-15-5-8-16(9-6-15)20(26)24-18-4-2-12-22-14-18/h1-14H,(H,23,25)(H,24,26)
InChIK	WQRYGSAJFZXYCU-UHFFFAOYSA-N
TotalMolweight	344.373
Molweight	344.373
MonoisotopicMass	344.127326
CLogP	2.282
CLogS	-3.42
H Acceptors	6
H Donors	2
TotalSurfaceArea	275.22
Relative PSA	0.25776
PolarSurfaceArea	83.98
Druglikeness	-0.43887
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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