(E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

C16H13N3O — CID 36714034

IUPAC(E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)NCc1ccccn1
InChIInChI=1S/C16H13N3O/c17-11-14-6-2-1-5-13(14)8-9-16(20)19-12-15-7-3-4-10-18-15/h1-10H,12H2,(H,19,20)/b9-8+
InChIKeyQTLDNHDANGMJMK-CMDGGOBGSA-N
MW263.30 g/mol
LogP2.28
Rot. Bonds4

About (E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

(E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 36714034) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID36714034
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)NCc1ccccn1
InChIInChI=1S/C16H13N3O/c17-11-14-6-2-1-5-13(14)8-9-16(20)19-12-15-7-3-4-10-18-15/h1-10H,12H2,(H,19,20)/b9-8+
InChIKeyQTLDNHDANGMJMK-CMDGGOBGSA-N
XLogP2.28
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 9414496
(E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 37171992
(E)-N-(pyridin-2-ylmethyl)but-2-enamide
CID 110459675
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
(E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide
CID 55904000
2-cyano-N-(pyridin-2-ylmethyl)acetamide
CID 2799775
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 2929509
N-(pyridin-2-ylmethyl)hexa-2,4-dienamide
CID 76860381
(E)-3-(4-bromothiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 75407879
3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023302
(E)-3-(3-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 39366180
(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 8895534

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 36714034) is (E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is N#Cc1ccccc1/C=C/C(=O)NCc1ccccn1.
What is the InChIKey of (E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is QTLDNHDANGMJMK-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H13N3O/c17-11-14-6-2-1-5-13(14)8-9-16(20)19-12-15-7-3-4-10-18-15/h1-10H,12H2,(H,19,20)/b9-8+.
What are the key properties of (E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 263.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 36714034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).