6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide

C14H15N3O3S — CID 61129334

IUPAC6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(S(N)(=O)=O)c2C)n1
InChIInChI=1S/C14H15N3O3S/c1-9-5-3-7-12(16-9)14(18)17-11-6-4-8-13(10(11)2)21(15,19)20/h3-8H,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyCTFADWOJPUFMRL-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.60
Rot. Bonds3

About 6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide

6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide (PubChem CID 61129334) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide
PubChem CID61129334
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(S(N)(=O)=O)c2C)n1
InChIInChI=1S/C14H15N3O3S/c1-9-5-3-7-12(16-9)14(18)17-11-6-4-8-13(10(11)2)21(15,19)20/h3-8H,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyCTFADWOJPUFMRL-UHFFFAOYSA-N
XLogP1.60
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide (CID 61129334) is 6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cccc(S(N)(=O)=O)c2C)n1.
What is the InChIKey of 6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide?
The InChIKey is CTFADWOJPUFMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-5-3-7-12(16-9)14(18)17-11-6-4-8-13(10(11)2)21(15,19)20/h3-8H,1-2H3,(H,17,18)(H2,15,19,20).
What are the key properties of 6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide?
6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 61129334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).