N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide

C21H18ClN3O3 — CID 109177842

IUPACN-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1
InChIInChI=1S/C21H18ClN3O3/c1-13(26)14-3-6-17(7-4-14)24-21(27)15-9-10-23-20(11-15)25-18-12-16(22)5-8-19(18)28-2/h3-12H,1-2H3,(H,23,25)(H,24,27)
InChIKeyMDZCRIKWCQSEMN-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.94
Rot. Bonds6

About N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide

N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide (PubChem CID 109177842) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
PubChem CID109177842
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1
InChIInChI=1S/C21H18ClN3O3/c1-13(26)14-3-6-17(7-4-14)24-21(27)15-9-10-23-20(11-15)25-18-12-16(22)5-8-19(18)28-2/h3-12H,1-2H3,(H,23,25)(H,24,27)
InChIKeyMDZCRIKWCQSEMN-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

2-(5-chloro-2-methoxyanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176285
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805
N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
CID 109129093
2-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177849
N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109177730
N-(4-acetamidophenyl)-2-(2-methoxyanilino)pyridine-4-carboxamide
CID 109177925
N-(3-acetylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109178248
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 109221402

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide (CID 109177842) is N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide is COc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1.
What is the InChIKey of N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide?
The InChIKey is MDZCRIKWCQSEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13(26)14-3-6-17(7-4-14)24-21(27)15-9-10-23-20(11-15)25-18-12-16(22)5-8-19(18)28-2/h3-12H,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide?
N-(4-acetylphenyl)-2-(5-chloro-2-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-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).