N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide

C21H18ClN3O2 — CID 109163537

IUPACN-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3cccc(Cl)c3C)nc2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-18(22)4-3-5-19(13)25-20-11-8-16(12-23-20)21(27)24-17-9-6-15(7-10-17)14(2)26/h3-12H,1-2H3,(H,23,25)(H,24,27)
InChIKeyXJKBSZQBPDEGPK-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.24
Rot. Bonds5

About N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide

N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide (PubChem CID 109163537) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide
PubChem CID109163537
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3cccc(Cl)c3C)nc2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-18(22)4-3-5-19(13)25-20-11-8-16(12-23-20)21(27)24-17-9-6-15(7-10-17)14(2)26/h3-12H,1-2H3,(H,23,25)(H,24,27)
InChIKeyXJKBSZQBPDEGPK-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

6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 109163558
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
6-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109163546
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549
N-(3-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042917
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109199329
N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337194
N-(3-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62186613
N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163578
2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267440

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide (CID 109163537) is N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(Nc3cccc(Cl)c3C)nc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide?
The InChIKey is XJKBSZQBPDEGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-18(22)4-3-5-19(13)25-20-11-8-16(12-23-20)21(27)24-17-9-6-15(7-10-17)14(2)26/h3-12H,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide?
N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)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 N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109163537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).