5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide

C22H19N3O4 — CID 109108917

IUPAC5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cncc(C(=O)Nc3cccc(C(C)=O)c3)c2)cc1
InChIInChI=1S/C22H19N3O4/c1-14(26)15-4-3-5-19(11-15)25-22(28)17-10-16(12-23-13-17)21(27)24-18-6-8-20(29-2)9-7-18/h3-13H,1-2H3,(H,24,27)(H,25,28)
InChIKeyDGHWWVQXIKUOSK-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.80
Rot. Bonds6

About 5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide

5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109108917) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
PubChem CID109108917
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cncc(C(=O)Nc3cccc(C(C)=O)c3)c2)cc1
InChIInChI=1S/C22H19N3O4/c1-14(26)15-4-3-5-19(11-15)25-22(28)17-10-16(12-23-13-17)21(27)24-18-6-8-20(29-2)9-7-18/h3-13H,1-2H3,(H,24,27)(H,25,28)
InChIKeyDGHWWVQXIKUOSK-UHFFFAOYSA-N
XLogP3.80
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108317
2-N-(3-acetylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093072
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(3-acetylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63859581
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
N-(3-acetylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236828

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide (CID 109108917) is 5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide is COc1ccc(NC(=O)c2cncc(C(=O)Nc3cccc(C(C)=O)c3)c2)cc1.
What is the InChIKey of 5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is DGHWWVQXIKUOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14(26)15-4-3-5-19(11-15)25-22(28)17-10-16(12-23-13-17)21(27)24-18-6-8-20(29-2)9-7-18/h3-13H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide?
5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109108917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).