6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide

C21H18ClN3O2 — CID 109163558

IUPAC6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cn2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-18(22)4-3-5-19(13)25-21(27)16-8-11-20(23-12-16)24-17-9-6-15(7-10-17)14(2)26/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyXIECOFGZVIINLH-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.24
Rot. Bonds5

About 6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide

6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 109163558) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
PubChem CID109163558
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cn2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-18(22)4-3-5-19(13)25-21(27)16-8-11-20(23-12-16)24-17-9-6-15(7-10-17)14(2)26/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyXIECOFGZVIINLH-UHFFFAOYSA-N
XLogP5.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.85
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163537
5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109199329
N-(3-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042917
N-(3-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62186613
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
6-anilino-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109162098
4-chloro-N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]benzamide
CID 113018706
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113018688
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268941
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162705
6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109164958
6-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109163546

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide (CID 109163558) is 6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide is CC(=O)c1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cn2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is XIECOFGZVIINLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-18(22)4-3-5-19(13)25-21(27)16-8-11-20(23-12-16)24-17-9-6-15(7-10-17)14(2)26/h3-12H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide?
6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109163558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).