5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide

C21H24ClN3O2 — CID 109107702

IUPAC5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(C(=O)N3CCCCCC3)c2)c(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c1-14-9-15(2)19(18(22)10-14)24-20(26)16-11-17(13-23-12-16)21(27)25-7-5-3-4-6-8-25/h9-13H,3-8H2,1-2H3,(H,24,26)
InChIKeyMWZBVXHKPUQBAG-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.62
Rot. Bonds3

About 5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide

5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109107702) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109107702
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(C(=O)N3CCCCCC3)c2)c(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c1-14-9-15(2)19(18(22)10-14)24-20(26)16-11-17(13-23-12-16)21(27)25-7-5-3-4-6-8-25/h9-13H,3-8H2,1-2H3,(H,24,26)
InChIKeyMWZBVXHKPUQBAG-UHFFFAOYSA-N
XLogP4.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-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

5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109103807
N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081130
N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102567
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109056693
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102216
N-(3-methylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102907
N-(2,4-dichlorophenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102982
N-(2,5-dichlorophenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102983
N-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102585
N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102577
N-(3-chloro-4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102940
2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109081281

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide (CID 109107702) is 5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)c(NC(=O)c2cncc(C(=O)N3CCCCCC3)c2)c(Cl)c1.
What is the InChIKey of 5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is MWZBVXHKPUQBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-14-9-15(2)19(18(22)10-14)24-20(26)16-11-17(13-23-12-16)21(27)25-7-5-3-4-6-8-25/h9-13H,3-8H2,1-2H3,(H,24,26).
What are the key properties of 5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide?
5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109107702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).