6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

C17H28N4O — CID 84573830

IUPAC6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C17H28N4O/c1-20(2)12-8-11-18-17(22)15-9-7-10-16(19-15)21-13-5-3-4-6-14-21/h7,9-10H,3-6,8,11-14H2,1-2H3,(H,18,22)
InChIKeyJYWPFRQRTPWJOT-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.14
Rot. Bonds6

About 6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 84573830) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID84573830
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C17H28N4O/c1-20(2)12-8-11-18-17(22)15-9-7-10-16(19-15)21-13-5-3-4-6-14-21/h7,9-10H,3-6,8,11-14H2,1-2H3,(H,18,22)
InChIKeyJYWPFRQRTPWJOT-UHFFFAOYSA-N
XLogP2.14
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573694
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 84575175
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
N-[3-(dimethylamino)propyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182724
N-[2-(4-methoxyphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573585
N-ethyl-N-(2-hydroxyethyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575190
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide
CID 101365996
6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 84573746
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
6-(azepan-1-yl)-N-cycloheptylpyridine-2-carboxamide
CID 84573847

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (CID 84573830) is 6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is CN(C)CCCNC(=O)c1cccc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is JYWPFRQRTPWJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20(2)12-8-11-18-17(22)15-9-7-10-16(19-15)21-13-5-3-4-6-14-21/h7,9-10H,3-6,8,11-14H2,1-2H3,(H,18,22).
What are the key properties of 6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 84573830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).