(E)-2-cyano-N-(2-pyridin-2-ylethyl)-3-(1H-pyrrol-2-yl)prop-2-enamide

Formula:C15H14N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(2-pyridin-2-ylethyl)-3-(1H-pyrrol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(2-pyridin-2-ylethyl)-3-(1H-pyrrol-2-yl)prop-2-enamide
MolecularFormula	C15H14N4O
Smiles	N#C/C(/C(NCCc1ncccc1)=O)=C\c1ccc[nH]1
InChI	InChI=1S/C15H14N4O/c16-11-12(10-14-5-3-8-18-14)15(20)19-9-6-13-4-1-2-7-17-13/h1-5,7-8,10,18H,6,9H2,(H,19,20)
InChIK	WLPHKOMZOZHVSM-UHFFFAOYSA-N
TotalMolweight	266.303
Molweight	266.303
MonoisotopicMass	266.116761
CLogP	0.9574
CLogS	-1.975
H Acceptors	5
H Donors	2
TotalSurfaceArea	224.5
Relative PSA	0.28071
PolarSurfaceArea	81.57
Druglikeness	-0.91566
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - (E)-2-cyano-N-(2-pyridin-2-ylethyl)-3-(1H-pyrrol-2-yl)prop-2-enamide | 2 - (E)-2-cyano-N-(2-pyridin-2-ylethyl)-3-(1H-pyrrol-2-yl)prop-2-enamide

Request More Details | (E)-2-cyano-N-(2-pyridin-2-ylethyl)-3-(1H-pyrrol-2-yl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments