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

C16H13N3O — CID 37171992

IUPAC(E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)NCc1cccnc1
InChIInChI=1S/C16H13N3O/c17-10-15-6-2-1-5-14(15)7-8-16(20)19-12-13-4-3-9-18-11-13/h1-9,11H,12H2,(H,19,20)/b8-7+
InChIKeyRWCDOFZKYLJMGL-BQYQJAHWSA-N
MW263.30 g/mol
LogP2.28
Rot. Bonds4

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

(E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 37171992) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID37171992
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)NCc1cccnc1
InChIInChI=1S/C16H13N3O/c17-10-15-6-2-1-5-14(15)7-8-16(20)19-12-13-4-3-9-18-11-13/h1-9,11H,12H2,(H,19,20)/b8-7+
InChIKeyRWCDOFZKYLJMGL-BQYQJAHWSA-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'}

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Related Compounds

(E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 890933
(E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 36714034
(E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide
CID 55904000
(E)-3-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 22087304
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(E)-3-[2-[2-[methoxy(methyl)amino]-2-oxoethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 22087263
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 4606451
2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 31807328
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 60893874

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 37171992) is (E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide is N#Cc1ccccc1/C=C/C(=O)NCc1cccnc1.
What is the InChIKey of (E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is RWCDOFZKYLJMGL-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H13N3O/c17-10-15-6-2-1-5-14(15)7-8-16(20)19-12-13-4-3-9-18-11-13/h1-9,11H,12H2,(H,19,20)/b8-7+.
What are the key properties of (E)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
(E)-3-(2-cyanophenyl)-N-(pyridin-3-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-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 37171992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).