2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide

C19H19Cl2N3O2 — CID 109090794

IUPAC2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H19Cl2N3O2/c20-14-5-6-15(21)16(12-14)23-18(25)13-7-8-22-17(11-13)19(26)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10H2,(H,23,25)
InChIKeyYFXKZAQONJMCGJ-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.66
Rot. Bonds3

About 2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide

2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide (PubChem CID 109090794) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
PubChem CID109090794
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H19Cl2N3O2/c20-14-5-6-15(21)16(12-14)23-18(25)13-7-8-22-17(11-13)19(26)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10H2,(H,23,25)
InChIKeyYFXKZAQONJMCGJ-UHFFFAOYSA-N
XLogP4.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)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-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
N-(2,5-dichlorophenyl)-2-piperidin-1-ylpyridine-4-carboxamide
CID 109166252
N-(2,5-dichlorophenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102983
N-(2-fluorophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081286
N-(2,4-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083093
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420
N-(2-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081328
methyl 4-chloro-3-[[4-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109080454
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080480
N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081299

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide (CID 109090794) is 2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccnc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide?
The InChIKey is YFXKZAQONJMCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-14-5-6-15(21)16(12-14)23-18(25)13-7-8-22-17(11-13)19(26)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10H2,(H,23,25).
What are the key properties of 2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide?
2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 4.66, 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-(2,5-dichlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).