5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide

C13H13N3O3S — CID 81317410

IUPAC5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C13H13N3O3S/c1-20(18,19)11-4-2-3-10(7-11)16-13(17)12-6-5-9(14)8-15-12/h2-8H,14H2,1H3,(H,16,17)
InChIKeyHVSCBHCMBBCCQK-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.32
Rot. Bonds3

About 5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide

5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide (PubChem CID 81317410) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
PubChem CID81317410
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C13H13N3O3S/c1-20(18,19)11-4-2-3-10(7-11)16-13(17)12-6-5-9(14)8-15-12/h2-8H,14H2,1H3,(H,16,17)
InChIKeyHVSCBHCMBBCCQK-UHFFFAOYSA-N
XLogP1.32
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81319188
5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 103803477
5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide
CID 81317223
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227
6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide
CID 81316402
1-methyl-N-(3-methylsulfonylphenyl)triazole-4-carboxamide
CID 110461981
3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
CID 60923802
N-(4-acetamidophenyl)-5-aminopyridine-2-carboxamide
CID 81319300
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide
CID 110466603
2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide
CID 114325907

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide (CID 81317410) is 5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2ccc(N)cn2)c1.
What is the InChIKey of 5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
The InChIKey is HVSCBHCMBBCCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-20(18,19)11-4-2-3-10(7-11)16-13(17)12-6-5-9(14)8-15-12/h2-8H,14H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 81317410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).