6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide

C15H23N3O2 — CID 116637062

IUPAC6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCCCCC2CO)nc1
InChIInChI=1S/C15H23N3O2/c1-17(2)15(20)12-7-8-14(16-10-12)18-9-5-3-4-6-13(18)11-19/h7-8,10,13,19H,3-6,9,11H2,1-2H3
InChIKeyKUBZAISQHDGBBM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.52
Rot. Bonds3

About 6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide

6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 116637062) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID116637062
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCCCCC2CO)nc1
InChIInChI=1S/C15H23N3O2/c1-17(2)15(20)12-7-8-14(16-10-12)18-9-5-3-4-6-13(18)11-19/h7-8,10,13,19H,3-6,9,11H2,1-2H3
InChIKeyKUBZAISQHDGBBM-UHFFFAOYSA-N
XLogP1.52
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 61406687
[1-(5-tert-butyl-2-pyridinyl)piperidin-2-yl]methanol
CID 107875282
ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
6-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115963854
3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 110901980
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
[1-(5-iodo-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 68796392
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115658002
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
CID 62217146

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 116637062) is 6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCCCCC2CO)nc1.
What is the InChIKey of 6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is KUBZAISQHDGBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(2)15(20)12-7-8-14(16-10-12)18-9-5-3-4-6-13(18)11-19/h7-8,10,13,19H,3-6,9,11H2,1-2H3.
What are the key properties of 6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 116637062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).