5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

C20H19ClN4O3S — CID 162645378

IUPAC5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C)cc3C)c2)c1
InChIInChI=1S/C20H19ClN4O3S/c1-12-4-5-18(13(2)6-12)29(27,28)25-17-8-15(11-24-19(17)21)14-7-16(10-23-9-14)20(26)22-3/h4-11,25H,1-3H3,(H,22,26)
InChIKeyBJPBQWZDHYOSEU-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.57
Rot. Bonds5

About 5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (PubChem CID 162645378) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
PubChem CID162645378
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C)cc3C)c2)c1
InChIInChI=1S/C20H19ClN4O3S/c1-12-4-5-18(13(2)6-12)29(27,28)25-17-8-15(11-24-19(17)21)14-7-16(10-23-9-14)20(26)22-3/h4-11,25H,1-3H3,(H,22,26)
InChIKeyBJPBQWZDHYOSEU-UHFFFAOYSA-N
XLogP3.57
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162647933
5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162649363
5-[6-chloro-5-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162645308
N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960019
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
N-(2,6-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960015
N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960008
N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960022
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 82722720
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 166178665
2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide
CID 166435638

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (CID 162645378) is 5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C)cc3C)c2)c1.
What is the InChIKey of 5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The InChIKey is BJPBQWZDHYOSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-12-4-5-18(13(2)6-12)29(27,28)25-17-8-15(11-24-19(17)21)14-7-16(10-23-9-14)20(26)22-3/h4-11,25H,1-3H3,(H,22,26).
What are the key properties of 5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide has a molecular weight of 430.92 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162645378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).