2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide

C21H25N3O4 — CID 109090770

IUPAC2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(C(=O)N3CCCCCC3)c2)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-27-16-7-8-17(19(14-16)28-2)23-20(25)15-9-10-22-18(13-15)21(26)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)
InChIKeyDABAAZVGVIWPPH-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.37
Rot. Bonds5

About 2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide

2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109090770) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
PubChem CID109090770
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(C(=O)N3CCCCCC3)c2)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-27-16-7-8-17(19(14-16)28-2)23-20(25)15-9-10-22-18(13-15)21(26)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)
InChIKeyDABAAZVGVIWPPH-UHFFFAOYSA-N
XLogP3.37
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081309
N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081308
2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109090766
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081759
4-N-(2,4-dimethoxyphenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078342
methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109081318
N-(2,4-dimethoxyphenyl)-2-methoxypyridine-4-carboxamide
CID 84580517
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090251
N-(2-fluorophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081286
N-(2-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081328
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide (CID 109090770) is 2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(C(=O)N3CCCCCC3)c2)c(OC)c1.
What is the InChIKey of 2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is DABAAZVGVIWPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-16-7-8-17(19(14-16)28-2)23-20(25)15-9-10-22-18(13-15)21(26)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide?
2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).