5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide

C17H27N3O — CID 109195506

IUPAC5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C17H27N3O/c1-14(2)9-10-18-17(21)16-8-7-15(13-19-16)20-11-5-3-4-6-12-20/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,18,21)
InChIKeyFNFZXDUMFRHFCE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.24
Rot. Bonds5

About 5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide

5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 109195506) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID109195506
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C17H27N3O/c1-14(2)9-10-18-17(21)16-8-7-15(13-19-16)20-11-5-3-4-6-12-20/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,18,21)
InChIKeyFNFZXDUMFRHFCE-UHFFFAOYSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182724
N-(3-methylbutyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274517
5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185693
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753
5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183656
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816
N-(3-methylbutyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110756
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
5-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide (CID 109195506) is 5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is FNFZXDUMFRHFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)9-10-18-17(21)16-8-7-15(13-19-16)20-11-5-3-4-6-12-20/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,18,21).
What are the key properties of 5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide?
5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).