5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide

C18H25N3O2 — CID 109102737

IUPAC5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cncc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C18H25N3O2/c22-17(20-16-7-3-4-8-16)14-11-15(13-19-12-14)18(23)21-9-5-1-2-6-10-21/h11-13,16H,1-10H2,(H,20,22)
InChIKeyIZLWPUAWNCRFSF-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.77
Rot. Bonds3

About 5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide

5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide (PubChem CID 109102737) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide
PubChem CID109102737
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cncc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C18H25N3O2/c22-17(20-16-7-3-4-8-16)14-11-15(13-19-12-14)18(23)21-9-5-1-2-6-10-21/h11-13,16H,1-10H2,(H,20,22)
InChIKeyIZLWPUAWNCRFSF-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102544
N-cyclohexyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102478
N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104440
N-cyclohexyl-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102999
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102518
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
N-cyclopentyl-5-piperidin-1-ylpyridine-3-carboxamide
CID 109225879
N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide
CID 138994284
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109106897
5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide?
The IUPAC name of 5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide (CID 109102737) is 5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide.
What is the SMILES notation for 5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide?
The canonical SMILES for 5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide is O=C(NC1CCCC1)c1cncc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide?
The InChIKey is IZLWPUAWNCRFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(20-16-7-3-4-8-16)14-11-15(13-19-12-14)18(23)21-9-5-1-2-6-10-21/h11-13,16H,1-10H2,(H,20,22).
What are the key properties of 5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide?
5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide is sourced from PubChem (CID 109102737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).