2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide

C16H25N3O — CID 84577154

IUPAC2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cccnc1N1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-3-18(4-2)16(20)14-10-9-11-17-15(14)19-12-7-5-6-8-13-19/h9-11H,3-8,12-13H2,1-2H3
InChIKeyWDRGSYHDRICWJD-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.94
Rot. Bonds4

About 2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide

2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide (PubChem CID 84577154) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
PubChem CID84577154
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cccnc1N1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-3-18(4-2)16(20)14-10-9-11-17-15(14)19-12-7-5-6-8-13-19/h9-11H,3-8,12-13H2,1-2H3
InChIKeyWDRGSYHDRICWJD-UHFFFAOYSA-N
XLogP2.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 55760078
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290
N-methyl-N-phenyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 84571145
3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119362402
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 36676473
N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104870
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 84576935
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60543504
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide (CID 84577154) is 2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1cccnc1N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide?
The InChIKey is WDRGSYHDRICWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-18(4-2)16(20)14-10-9-11-17-15(14)19-12-7-5-6-8-13-19/h9-11H,3-8,12-13H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide?
2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 84577154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).