5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid

C14H18N2O5S — CID 119129619

IUPAC5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(CS(C)(=O)=O)N(C(=O)c1ccc(C(=O)O)nc1)C1CC1
InChIInChI=1S/C14H18N2O5S/c1-9(8-22(2,20)21)16(11-4-5-11)13(17)10-3-6-12(14(18)19)15-7-10/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,18,19)
InChIKeyFGVWFKBDIQZBGT-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.82
Rot. Bonds6

About 5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid

5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119129619) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119129619
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(CS(C)(=O)=O)N(C(=O)c1ccc(C(=O)O)nc1)C1CC1
InChIInChI=1S/C14H18N2O5S/c1-9(8-22(2,20)21)16(11-4-5-11)13(17)10-3-6-12(14(18)19)15-7-10/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,18,19)
InChIKeyFGVWFKBDIQZBGT-UHFFFAOYSA-N
XLogP0.82
TPSA104.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Benzenesulfonylaminocarbonyl-pyridine-2-carboxylic acid
CID 19928174
5-Phenylmethanesulfonylaminocarbonyl-pyridine-2-carboxylic acid
CID 44379135
5-(Propan-2-ylsulfonylcarbamoyl)pyridine-2-carboxylic acid;hydrochloride
CID 49861182
5-(Methylsulfonylcarbamoyl)pyridine-2-carboxylic acid;hydrochloride
CID 49861183
5-(Aminocarbonyl)-2-pyridinecarboxylic acid
CID 2726657
5-(Methylcarbamoyl)pyridine-2-carboxylic acid
CID 43414692
5-[(2,2-Dimethylpropyl)carbamoyl]pyridine-2-carboxylic acid
CID 53535758
5-(Dimethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414857
5-[Cyclobutyl(3,3,3-trifluoropropyl)carbamoyl]pyridine-2-carboxylic acid
CID 132298623
5-[(Propane-2-sulfonyl)carbamoyl]pyridine-2-carboxylic acid
CID 44379204
5-(Methylsulfonylcarbamoyl)pyridine-2-carboxylic acid
CID 44379218
5-[2-(4-Fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 152781644

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid (CID 119129619) is 5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid is CC(CS(C)(=O)=O)N(C(=O)c1ccc(C(=O)O)nc1)C1CC1.
What is the InChIKey of 5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is FGVWFKBDIQZBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-9(8-22(2,20)21)16(11-4-5-11)13(17)10-3-6-12(14(18)19)15-7-10/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,18,19).
What are the key properties of 5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119129619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).