2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide

C21H25N3O2 — CID 109090735

IUPAC2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-8-7-9-16(2)19(15)23-20(25)17-10-11-22-18(14-17)21(26)24-12-5-3-4-6-13-24/h7-11,14H,3-6,12-13H2,1-2H3,(H,23,25)
InChIKeyDNHWYPFTRRRLSP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.97
Rot. Bonds3

About 2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide

2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide (PubChem CID 109090735) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
PubChem CID109090735
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-8-7-9-16(2)19(15)23-20(25)17-10-11-22-18(14-17)21(26)24-12-5-3-4-6-13-24/h7-11,14H,3-6,12-13H2,1-2H3,(H,23,25)
InChIKeyDNHWYPFTRRRLSP-UHFFFAOYSA-N
XLogP3.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109090740
2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109081281
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080597
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081205
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084586
N-(2-fluorophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081286
N-(2-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081328
4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 109090661

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide (CID 109090735) is 2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide is Cc1cccc(C)c1NC(=O)c1ccnc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide?
The InChIKey is DNHWYPFTRRRLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-8-7-9-16(2)19(15)23-20(25)17-10-11-22-18(14-17)21(26)24-12-5-3-4-6-13-24/h7-11,14H,3-6,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide?
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).