6-(azepan-1-yl)pyridine-2-carboxamide

C12H17N3O — CID 173077887

IUPAC6-(azepan-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C12H17N3O/c13-12(16)10-6-5-7-11(14-10)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9H2,(H2,13,16)
InChIKeyKVBDNZOAWJITOA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.56
Rot. Bonds2

About 6-(azepan-1-yl)pyridine-2-carboxamide

6-(azepan-1-yl)pyridine-2-carboxamide (PubChem CID 173077887) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-(azepan-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)pyridine-2-carboxamide
PubChem CID173077887
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-(azepan-1-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C12H17N3O/c13-12(16)10-6-5-7-11(14-10)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9H2,(H2,13,16)
InChIKeyKVBDNZOAWJITOA-UHFFFAOYSA-N
XLogP1.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(azepan-1-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173079104
ethyl 6-piperidin-1-ylpyridine-2-carboxylate
CID 146501154
6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 163578715
1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid
CID 64590146
2-methyl-1-(6-pyrrolidin-1-yl-2-pyridinyl)propan-1-one
CID 83888265
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 173077858
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 84573746
6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173099499
6-(azepan-1-yl)-N-cycloheptylpyridine-2-carboxamide
CID 84573847

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(azepan-1-yl)pyridine-2-carboxamide (CID 173077887) is 6-(azepan-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)pyridine-2-carboxamide is NC(=O)c1cccc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)pyridine-2-carboxamide?
The InChIKey is KVBDNZOAWJITOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(16)10-6-5-7-11(14-10)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9H2,(H2,13,16).
What are the key properties of 6-(azepan-1-yl)pyridine-2-carboxamide?
6-(azepan-1-yl)pyridine-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 173077887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).