6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

C16H16N2O5S — CID 146128325

IUPAC6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1c(CS(C)(=O)=O)cccc1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C16H16N2O5S/c1-10-11(9-24(2,22)23)5-3-6-12(10)18-15(19)13-7-4-8-14(17-13)16(20)21/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYIBCQINYCDIRMT-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.89
Rot. Bonds5

About 6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 146128325) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID146128325
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1c(CS(C)(=O)=O)cccc1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C16H16N2O5S/c1-10-11(9-24(2,22)23)5-3-6-12(10)18-15(19)13-7-4-8-14(17-13)16(20)21/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYIBCQINYCDIRMT-UHFFFAOYSA-N
XLogP1.89
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86963414
6-N-(2,3-dimethylphenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097371
3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 167891902
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558433
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide
CID 119793659
2-N,6-N-bis[2-[(dimethylamino)methyl]phenyl]pyridine-2,6-dicarboxamide
CID 38435626
2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 95171393
6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide
CID 61129334
6-N-(3-chloro-2-methylphenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097382
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 146128325) is 6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is YIBCQINYCDIRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-10-11(9-24(2,22)23)5-3-6-12(10)18-15(19)13-7-4-8-14(17-13)16(20)21/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 348.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 146128325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).