2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide

C16H25N3O2 — CID 84574449

IUPAC2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESCCN(CCO)C(=O)c1ccnc(N2CCCCCC2)c1
InChIInChI=1S/C16H25N3O2/c1-2-18(11-12-20)16(21)14-7-8-17-15(13-14)19-9-5-3-4-6-10-19/h7-8,13,20H,2-6,9-12H2,1H3
InChIKeyULFGECHRLWXFBD-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.92
Rot. Bonds5

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

2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide (PubChem CID 84574449) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
PubChem CID84574449
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESCCN(CCO)C(=O)c1ccnc(N2CCCCCC2)c1
InChIInChI=1S/C16H25N3O2/c1-2-18(11-12-20)16(21)14-7-8-17-15(13-14)19-9-5-3-4-6-10-19/h7-8,13,20H,2-6,9-12H2,1H3
InChIKeyULFGECHRLWXFBD-UHFFFAOYSA-N
XLogP1.92
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574689
N-ethyl-N-(2-hydroxyethyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575190
N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574612
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174480
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
N-ethyl-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 115769350
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide
CID 117090636
N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105030
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 46981532
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-diethylpyridine-4-carboxamide
CID 109174358
N,N-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]propanamide
CID 55933714
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
CID 94811507

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide (CID 84574449) is 2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide is CCN(CCO)C(=O)c1ccnc(N2CCCCCC2)c1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The InChIKey is ULFGECHRLWXFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-18(11-12-20)16(21)14-7-8-17-15(13-14)19-9-5-3-4-6-10-19/h7-8,13,20H,2-6,9-12H2,1H3.
What are the key properties of 2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.92, 5 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-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 84574449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).