6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide

C20H17ClN2O — CID 58639429

IUPAC6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)nc2)cc1
InChIInChI=1S/C20H17ClN2O/c1-2-14-7-10-16(11-8-14)23-20(24)15-9-12-19(22-13-15)17-5-3-4-6-18(17)21/h3-13H,2H2,1H3,(H,23,24)
InChIKeyPGTCRVVVMDIWTP-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.22
Rot. Bonds4

About 6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide

6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide (PubChem CID 58639429) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide
PubChem CID58639429
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)nc2)cc1
InChIInChI=1S/C20H17ClN2O/c1-2-14-7-10-16(11-8-14)23-20(24)15-9-12-19(22-13-15)17-5-3-4-6-18(17)21/h3-13H,2H2,1H3,(H,23,24)
InChIKeyPGTCRVVVMDIWTP-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-fluorophenyl)-N-(4-propylphenyl)pyridine-3-carboxamide
CID 58639533
6-(ethylamino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 62166937
N-(4-ethylphenyl)benzamide
CID 774063
2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267440
N-(2-chloro-6-methylphenyl)-6-(2-methylphenyl)pyridine-3-carboxamide
CID 58639460
N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide
CID 58639644
N-(4-ethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158771
5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109291594
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide (CID 58639429) is 6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide is CCc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)nc2)cc1.
What is the InChIKey of 6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The InChIKey is PGTCRVVVMDIWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-2-14-7-10-16(11-8-14)23-20(24)15-9-12-19(22-13-15)17-5-3-4-6-18(17)21/h3-13H,2H2,1H3,(H,23,24).
What are the key properties of 6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide?
6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 58639429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).