N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide

C22H21N3O4 — CID 109200228

IUPACN-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)nc2)c(OC)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)15-5-4-6-16(11-15)25-22(27)20-9-7-17(13-23-20)24-19-10-8-18(28-2)12-21(19)29-3/h4-13,24H,1-3H3,(H,25,27)
InChIKeyHNSGQYSINSTYLN-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.30
Rot. Bonds7

About N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide

N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide (PubChem CID 109200228) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
PubChem CID109200228
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)nc2)c(OC)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)15-5-4-6-16(11-15)25-22(27)20-9-7-17(13-23-20)24-19-10-8-18(28-2)12-21(19)29-3/h4-13,24H,1-3H3,(H,25,27)
InChIKeyHNSGQYSINSTYLN-UHFFFAOYSA-N
XLogP4.30
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199779
N-(4-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200229
N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109199643
5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293918
N-(4-acetylphenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109200201
N-(3-acetylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109199996
6-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129294
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
N-(3-bromophenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199748
N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide
CID 109197257
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide (CID 109200228) is N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)nc2)c(OC)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide?
The InChIKey is HNSGQYSINSTYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(26)15-5-4-6-16(11-15)25-22(27)20-9-7-17(13-23-20)24-19-10-8-18(28-2)12-21(19)29-3/h4-13,24H,1-3H3,(H,25,27).
What are the key properties of N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide?
N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109200228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).