4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide

C23H29N3O2 — CID 109090661

IUPAC4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C23H29N3O2/c1-3-17-10-9-11-18(4-2)21(17)25-22(27)20-16-19(12-13-24-20)23(28)26-14-7-5-6-8-15-26/h9-13,16H,3-8,14-15H2,1-2H3,(H,25,27)
InChIKeyQTXYXMZUQVMGDZ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.47
Rot. Bonds5

About 4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide

4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide (PubChem CID 109090661) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide
PubChem CID109090661
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C23H29N3O2/c1-3-17-10-9-11-18(4-2)21(17)25-22(27)20-16-19(12-13-24-20)23(28)26-14-7-5-6-8-15-26/h9-13,16H,3-8,14-15H2,1-2H3,(H,25,27)
InChIKeyQTXYXMZUQVMGDZ-UHFFFAOYSA-N
XLogP4.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109090740
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080597
N-(2,6-difluorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081186
N-(2,6-diethylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044646
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
4-N-cyclopentyl-2-N-(2,6-diethylphenyl)pyridine-2,4-dicarboxamide
CID 109080782
N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102577
N-[(2-chlorophenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081046
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081130

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide (CID 109090661) is 4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide is CCc1cccc(CC)c1NC(=O)c1cc(C(=O)N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide?
The InChIKey is QTXYXMZUQVMGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-17-10-9-11-18(4-2)21(17)25-22(27)20-16-19(12-13-24-20)23(28)26-14-7-5-6-8-15-26/h9-13,16H,3-8,14-15H2,1-2H3,(H,25,27).
What are the key properties of 4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide?
4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109090661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).