5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide

C17H25N3O2 — CID 109106739

IUPAC5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-3-19(4-2)16(21)14-11-15(13-18-12-14)17(22)20-9-7-5-6-8-10-20/h11-13H,3-10H2,1-2H3
InChIKeyVCQXSDNTGFRXLQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.58
Rot. Bonds4

About 5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide

5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide (PubChem CID 109106739) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide
PubChem CID109106739
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-3-19(4-2)16(21)14-11-15(13-18-12-14)17(22)20-9-7-5-6-8-10-20/h11-13H,3-10H2,1-2H3
InChIKeyVCQXSDNTGFRXLQ-UHFFFAOYSA-N
XLogP2.58
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103773
ethyl 4-[5-(diethylcarbamoyl)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106671
azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone
CID 109238896
N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
N,N-diethyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106568
1-[4-[5-(piperidine-1-carbonyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109102845
N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106704
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109107727
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102873
N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102850

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide (CID 109106739) is 5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1cncc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide?
The InChIKey is VCQXSDNTGFRXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-19(4-2)16(21)14-11-15(13-18-12-14)17(22)20-9-7-5-6-8-10-20/h11-13H,3-10H2,1-2H3.
What are the key properties of 5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide?
5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 109106739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).