5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

C22H27N3O3 — CID 109106436

IUPAC5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cncc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-8-6-17(7-9-20)10-11-24-21(26)18-14-19(16-23-15-18)22(27)25-12-4-2-3-5-13-25/h6-9,14-16H,2-5,10-13H2,1H3,(H,24,26)
InChIKeyLKYJGHLAQDCNSU-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.08
Rot. Bonds6

About 5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109106436) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID109106436
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cncc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-8-6-17(7-9-20)10-11-24-21(26)18-14-19(16-23-15-18)22(27)25-12-4-2-3-5-13-25/h6-9,14-16H,2-5,10-13H2,1H3,(H,24,26)
InChIKeyLKYJGHLAQDCNSU-UHFFFAOYSA-N
XLogP3.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103183
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
N-[2-(3-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102553
5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109226851
N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102850
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896
3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 109053657
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
N-(2,5-dimethoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102951
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 109106436) is 5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cncc(C(=O)N3CCCCCC3)c2)cc1.
What is the InChIKey of 5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is LKYJGHLAQDCNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-20-8-6-17(7-9-20)10-11-24-21(26)18-14-19(16-23-15-18)22(27)25-12-4-2-3-5-13-25/h6-9,14-16H,2-5,10-13H2,1H3,(H,24,26).
What are the key properties of 5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109106436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).