2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide

C21H20N4O3 — CID 109178041

IUPAC2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3cccc(NC(C)=O)c3)c2)cc1
InChIInChI=1S/C21H20N4O3/c1-14(26)23-17-4-3-5-18(13-17)24-20-12-15(10-11-22-20)21(27)25-16-6-8-19(28-2)9-7-16/h3-13H,1-2H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyGGEZCIOTTIZCNL-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.04
Rot. Bonds6

About 2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide

2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 109178041) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID109178041
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3cccc(NC(C)=O)c3)c2)cc1
InChIInChI=1S/C21H20N4O3/c1-14(26)23-17-4-3-5-18(13-17)24-20-12-15(10-11-22-20)21(27)25-16-6-8-19(28-2)9-7-16/h3-13H,1-2H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyGGEZCIOTTIZCNL-UHFFFAOYSA-N
XLogP4.04
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178053
2-(3-ethylanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283332
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712
2-(3-acetamidoanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177884
2-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177953
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109176756
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide (CID 109178041) is 2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(Nc3cccc(NC(C)=O)c3)c2)cc1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is GGEZCIOTTIZCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(26)23-17-4-3-5-18(13-17)24-20-12-15(10-11-22-20)21(27)25-16-6-8-19(28-2)9-7-16/h3-13H,1-2H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of 2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109178041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).