N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide

C21H18ClN3O3 — CID 109177805

IUPACN-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(C(C)=O)cc3)ccn2)cc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-13(26)14-3-5-16(6-4-14)25-21(27)15-9-10-23-20(11-15)24-17-7-8-19(28-2)18(22)12-17/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyZQLOBIPEDJCZHQ-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.94
Rot. Bonds6

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

N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide (PubChem CID 109177805) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
PubChem CID109177805
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(C(C)=O)cc3)ccn2)cc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-13(26)14-3-5-16(6-4-14)25-21(27)15-9-10-23-20(11-15)24-17-7-8-19(28-2)18(22)12-17/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyZQLOBIPEDJCZHQ-UHFFFAOYSA-N
XLogP4.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
CID 109177842
N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255
2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178053
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 109177809
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109245028
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide (CID 109177805) is N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3ccc(C(C)=O)cc3)ccn2)cc1Cl.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide?
The InChIKey is ZQLOBIPEDJCZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13(26)14-3-5-16(6-4-14)25-21(27)15-9-10-23-20(11-15)24-17-7-8-19(28-2)18(22)12-17/h3-12H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide?
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).