5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

C19H17ClN4O3S — CID 162660184

IUPAC5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1
InChIInChI=1S/C19H17ClN4O3S/c1-12-3-5-16(6-4-12)28(26,27)24-17-8-14(11-23-18(17)20)13-7-15(10-22-9-13)19(25)21-2/h3-11,24H,1-2H3,(H,21,25)
InChIKeyVVTOXDZCNCIHIV-UHFFFAOYSA-N
MW416.89 g/mol
LogP3.27
Rot. Bonds5

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

5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (PubChem CID 162660184) has the molecular formula C19H17ClN4O3S and a molecular weight of 416.89 g/mol. Its IUPAC name is 5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
PubChem CID162660184
Molecular FormulaC19H17ClN4O3S
Molecular Weight416.89 g/mol
Exact Mass416.07
IUPAC Name5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1
InChIInChI=1S/C19H17ClN4O3S/c1-12-3-5-16(6-4-12)28(26,27)24-17-8-14(11-23-18(17)20)13-7-15(10-22-9-13)19(25)21-2/h3-11,24H,1-2H3,(H,21,25)
InChIKeyVVTOXDZCNCIHIV-UHFFFAOYSA-N
XLogP3.27
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (CID 162660184) is 5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1.
What is the InChIKey of 5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The InChIKey is VVTOXDZCNCIHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3S/c1-12-3-5-16(6-4-12)28(26,27)24-17-8-14(11-23-18(17)20)13-7-15(10-22-9-13)19(25)21-2/h3-11,24H,1-2H3,(H,21,25).
What are the key properties of 5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide has a molecular weight of 416.89 g/mol, XLogP of 3.27, 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-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162660184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).