N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide

Formula:C17H17N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
MolecularFormula	C17H17N3O3
Smiles	OCCNC(/C(/NC(c1ccccc1)=O)=C\c1cnccc1)=O
InChI	InChI=1S/C17H17N3O3/c21-10-9-19-17(23)15(11-13-5-4-8-18-12-13)20-16(22)14-6-2-1-3-7-14/h1-8,11-12,21H,9-10H2,(H,19,23)(H,20,22)
InChIK	JKNUNWZGIVEWJJ-UHFFFAOYSA-N
TotalMolweight	311.34
Molweight	311.34
MonoisotopicMass	311.126992
CLogP	1.1938
CLogS	-2.364
H Acceptors	6
H Donors	3
TotalSurfaceArea	248.78
Relative PSA	0.29371
PolarSurfaceArea	91.32
Druglikeness	3.461
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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