4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide

C22H27N3O2 — CID 109087072

IUPAC4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C22H27N3O2/c1-2-24(17-18-10-6-5-7-11-18)22(27)20-16-19(12-13-23-20)21(26)25-14-8-3-4-9-15-25/h5-7,10-13,16H,2-4,8-9,14-15,17H2,1H3
InChIKeyGLFPAHQSBFPGSB-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.76
Rot. Bonds5

About 4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide

4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide (PubChem CID 109087072) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
PubChem CID109087072
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C22H27N3O2/c1-2-24(17-18-10-6-5-7-11-18)22(27)20-16-19(12-13-23-20)21(26)25-14-8-3-4-9-15-25/h5-7,10-13,16H,2-4,8-9,14-15,17H2,1H3
InChIKeyGLFPAHQSBFPGSB-UHFFFAOYSA-N
XLogP3.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide
CID 109081382
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
N-benzyl-N-phenyl-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081326
4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208871
2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide
CID 109087067
N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109212514
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
2-N-benzyl-2-N-ethyl-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085684
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide (CID 109087072) is 4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(C(=O)N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide?
The InChIKey is GLFPAHQSBFPGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-24(17-18-10-6-5-7-11-18)22(27)20-16-19(12-13-23-20)21(26)25-14-8-3-4-9-15-25/h5-7,10-13,16H,2-4,8-9,14-15,17H2,1H3.
What are the key properties of 4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide?
4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 109087072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).