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

C16H15ClN2O — CID 75452187

IUPAC(E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccnc(C)c2Cl)cc1
InChIInChI=1S/C16H15ClN2O/c1-11-3-5-13(6-4-11)7-8-15(20)19-14-9-10-18-12(2)16(14)17/h3-10H,1-2H3,(H,18,19,20)/b8-7+
InChIKeyUDJHSVZZOXKOSK-BQYQJAHWSA-N
MW286.76 g/mol
LogP4.00
Rot. Bonds3

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

(E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 75452187) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID75452187
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccnc(C)c2Cl)cc1
InChIInChI=1S/C16H15ClN2O/c1-11-3-5-13(6-4-11)7-8-15(20)19-14-9-10-18-12(2)16(14)17/h3-10H,1-2H3,(H,18,19,20)/b8-7+
InChIKeyUDJHSVZZOXKOSK-BQYQJAHWSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)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)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
CID 75408108
(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867709
3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 4621052
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
(E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 43860173
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
(E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 60576829
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 9141564
N-[2-methoxy-4-[3-methoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 4200270
3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
CID 897837

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide (CID 75452187) is (E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccnc(C)c2Cl)cc1.
What is the InChIKey of (E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is UDJHSVZZOXKOSK-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-3-5-13(6-4-11)7-8-15(20)19-14-9-10-18-12(2)16(14)17/h3-10H,1-2H3,(H,18,19,20)/b8-7+.
What are the key properties of (E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 286.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-2-methyl-4-pyridinyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 75452187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).