(E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide

C15H13ClN2O — CID 946212

IUPAC(E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccnc(NC(=O)/C=C/c2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-11-8-9-17-14(10-11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-10H,1H3,(H,17,18,19)/b7-6+
InChIKeyXBOOJPHCCDFOQZ-VOTSOKGWSA-N
MW272.74 g/mol
LogP3.70
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 946212) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
PubChem CID946212
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccnc(NC(=O)/C=C/c2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-11-8-9-17-14(10-11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-10H,1H3,(H,17,18,19)/b7-6+
InChIKeyXBOOJPHCCDFOQZ-VOTSOKGWSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)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

N-(pyridin-2-yl)benzamide
CID 219990
(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
N-((4-chlorophenyl)methyl)pyridin-2-amine
CID 89881
2,6-Dichloro-N-{2-[(Cyclopropylcarbonyl)amino]pyridin-4-Yl}benzamide
CID 49839561
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
2-Acetamido-5-chloropyridine
CID 798653
7-Amino-3-(2,6-dichlorophenyl)-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328700
3-(2,6-Dichlorophenyl)-1-methyl-7-(methylamino)-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328701
3-(2,6-Dichlorophenyl)-7-{[3-(diethylamino)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328704
3-(2,6-Dichlorophenyl)-7-{[4-(diethylamino)butyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328705
3-(2,6-Dichlorophenyl)-7-{[5-(diethylamino)pentyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328706

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide (CID 946212) is (E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide is Cc1ccnc(NC(=O)/C=C/c2ccccc2Cl)c1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is XBOOJPHCCDFOQZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-11-8-9-17-14(10-11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-10H,1H3,(H,17,18,19)/b7-6+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 272.74 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 946212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).