2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

C12H11ClN4O3S — CID 158004161

IUPAC2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cnc(Cl)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C12H11ClN4O3S/c1-7-4-9(11(13)16-6-7)12(18)17-8-2-3-15-10(5-8)21(14,19)20/h2-6H,1H3,(H2,14,19,20)(H,15,17,18)
InChIKeyFEBWVYSNWMPPCX-UHFFFAOYSA-N
MW326.77 g/mol
LogP1.34
Rot. Bonds3

About 2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 158004161) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID158004161
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC Name2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cnc(Cl)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C12H11ClN4O3S/c1-7-4-9(11(13)16-6-7)12(18)17-8-2-3-15-10(5-8)21(14,19)20/h2-6H,1H3,(H2,14,19,20)(H,15,17,18)
InChIKeyFEBWVYSNWMPPCX-UHFFFAOYSA-N
XLogP1.34
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 51.34
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-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 147818169
2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 148581689
5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 157158718
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane
CID 169124911
N-(2-chloro-4-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 114053486
5-chloro-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146576273
N-(2-sulfamoyl-4-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 175733101
2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525973
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103738978
5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 114046022
2-[(1S,5R)-3-azabicyclo[3.2.0]heptan-3-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525717
5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 62000829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 158004161) is 2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is Cc1cnc(Cl)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is FEBWVYSNWMPPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c1-7-4-9(11(13)16-6-7)12(18)17-8-2-3-15-10(5-8)21(14,19)20/h2-6H,1H3,(H2,14,19,20)(H,15,17,18).
What are the key properties of 2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 326.77 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 158004161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).