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

C21H18ClN3O2 — CID 109177564

IUPAC2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3cccc(Cl)c3C)ccn2)c1
InChIInChI=1S/C21H18ClN3O2/c1-13-18(22)7-4-8-19(13)25-21(27)16-9-10-23-20(12-16)24-17-6-3-5-15(11-17)14(2)26/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyPVWUPWOZPSNJFO-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.24
Rot. Bonds5

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

2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide (PubChem CID 109177564) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
PubChem CID109177564
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(Nc2cc(C(=O)Nc3cccc(Cl)c3C)ccn2)c1
InChIInChI=1S/C21H18ClN3O2/c1-13-18(22)7-4-8-19(13)25-21(27)16-9-10-23-20(12-16)24-17-6-3-5-15(11-17)14(2)26/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyPVWUPWOZPSNJFO-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

2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268941
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170767
N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109358316
2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177376
2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176186
6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 109163558
methyl 3-[[2-[(3-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221110
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109178282
2-(3-acetamidoanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177884

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide (CID 109177564) is 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide is CC(=O)c1cccc(Nc2cc(C(=O)Nc3cccc(Cl)c3C)ccn2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is PVWUPWOZPSNJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-18(22)7-4-8-19(13)25-21(27)16-9-10-23-20(12-16)24-17-6-3-5-15(11-17)14(2)26/h3-12H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide?
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-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 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109177564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).