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

C14H15N3O3S — CID 104741220

IUPAC3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1ncccc1N
InChIInChI=1S/C14H15N3O3S/c1-9-5-6-10(21(2,19)20)8-12(9)17-14(18)13-11(15)4-3-7-16-13/h3-8H,15H2,1-2H3,(H,17,18)
InChIKeyJUWGRTJXAVYUMC-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.63
Rot. Bonds3

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

3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide (PubChem CID 104741220) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide
PubChem CID104741220
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1ncccc1N
InChIInChI=1S/C14H15N3O3S/c1-9-5-6-10(21(2,19)20)8-12(9)17-14(18)13-11(15)4-3-7-16-13/h3-8H,15H2,1-2H3,(H,17,18)
InChIKeyJUWGRTJXAVYUMC-UHFFFAOYSA-N
XLogP1.63
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 104741301
4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 65354301
4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687596
N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide
CID 43040079
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
3-amino-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741149
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
N-(2-methyl-5-methylsulfonylphenyl)quinoxaline-2-carboxamide
CID 27990943
3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
CID 27990929
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
N-(2,5-dimethylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474800

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide (CID 104741220) is 3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide?
The InChIKey is JUWGRTJXAVYUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-5-6-10(21(2,19)20)8-12(9)17-14(18)13-11(15)4-3-7-16-13/h3-8H,15H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide?
3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 104741220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).