3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid

C10H10F3N3O3 — CID 113447890

IUPAC3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C10H10F3N3O3/c1-16(5-10(11,12)13)9(19)15-6-3-2-4-14-7(6)8(17)18/h2-4H,5H2,1H3,(H,15,19)(H,17,18)
InChIKeyKXEQWMZVHCTIHC-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.81
Rot. Bonds3

About 3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid

3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 113447890) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID113447890
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C10H10F3N3O3/c1-16(5-10(11,12)13)9(19)15-6-3-2-4-14-7(6)8(17)18/h2-4H,5H2,1H3,(H,15,19)(H,17,18)
InChIKeyKXEQWMZVHCTIHC-UHFFFAOYSA-N
XLogP1.81
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743483
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447891
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447906
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743381
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743458
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid (CID 113447890) is 3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid is CN(CC(F)(F)F)C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is KXEQWMZVHCTIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c1-16(5-10(11,12)13)9(19)15-6-3-2-4-14-7(6)8(17)18/h2-4H,5H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid?
3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 277.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113447890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).