2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide

C19H23ClN4O3S — CID 150900428

IUPAC2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(N2CCCCCC2)c1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C19H23ClN4O3S/c1-13-11-16(20)23-18(24-9-4-2-3-5-10-24)17(13)19(25)22-14-7-6-8-15(12-14)28(21,26)27/h6-8,11-12H,2-5,9-10H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyKZWWGMPNXPUCKA-UHFFFAOYSA-N
MW422.94 g/mol
LogP3.32
Rot. Bonds4

About 2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide

2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide (PubChem CID 150900428) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is 2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
PubChem CID150900428
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC Name2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(N2CCCCCC2)c1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C19H23ClN4O3S/c1-13-11-16(20)23-18(24-9-4-2-3-5-10-24)17(13)19(25)22-14-7-6-8-15(12-14)28(21,26)27/h6-8,11-12H,2-5,9-10H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyKZWWGMPNXPUCKA-UHFFFAOYSA-N
XLogP3.32
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)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-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 151082126
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea
CID 71896243
3-(azepan-1-yl)-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-phenylpyridazine-4-carboxamide
CID 176694240
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
4-methyl-N-(3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 66335294
2-(4,4-difluoroazepan-1-yl)-N-(3-sulfamoylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 169264491
methyl 1-[3-[(3-sulfamoylphenyl)carbamoyl]-5-(trifluoromethyl)-2-pyridinyl]azepane-4-carboxylate
CID 150043236
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
6-(4,4-difluoroazepan-1-yl)-1-methyl-N-(3-sulfamoylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 169263975
6-(4,4-difluoroazepan-1-yl)-4-methyl-5-N-(3-methylphenyl)pyridine-2,5-dicarboxamide
CID 169124576

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide (CID 150900428) is 2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide is Cc1cc(Cl)nc(N2CCCCCC2)c1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide?
The InChIKey is KZWWGMPNXPUCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c1-13-11-16(20)23-18(24-9-4-2-3-5-10-24)17(13)19(25)22-14-7-6-8-15(12-14)28(21,26)27/h6-8,11-12H,2-5,9-10H2,1H3,(H,22,25)(H2,21,26,27).
What are the key properties of 2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide?
2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide has a molecular weight of 422.94 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-6-chloro-4-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 150900428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).