2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide

C15H23N3O2 — CID 84574689

IUPAC2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCO)C(=O)c1ccnc(N2CCCCCC2)c1
InChIInChI=1S/C15H23N3O2/c1-17(10-11-19)15(20)13-6-7-16-14(12-13)18-8-4-2-3-5-9-18/h6-7,12,19H,2-5,8-11H2,1H3
InChIKeyIMNOPGHJWZDVFV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.53
Rot. Bonds4

About 2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide

2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide (PubChem CID 84574689) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
PubChem CID84574689
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCO)C(=O)c1ccnc(N2CCCCCC2)c1
InChIInChI=1S/C15H23N3O2/c1-17(10-11-19)15(20)13-6-7-16-14(12-13)18-8-4-2-3-5-9-18/h6-7,12,19H,2-5,8-11H2,1H3
InChIKeyIMNOPGHJWZDVFV-UHFFFAOYSA-N
XLogP1.53
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 84574449
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574490
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 46981532
N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574612
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110108021
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide
CID 109169122
N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109170232
2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide
CID 109175499
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 63207878
1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
CID 83888257
2-[[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-methylacetamide
CID 75614155

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide (CID 84574689) is 2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide is CN(CCO)C(=O)c1ccnc(N2CCCCCC2)c1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is IMNOPGHJWZDVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(10-11-19)15(20)13-6-7-16-14(12-13)18-8-4-2-3-5-9-18/h6-7,12,19H,2-5,8-11H2,1H3.
What are the key properties of 2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 84574689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).