3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid

C14H12FN3O3 — CID 104743485

IUPAC3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCc1c(F)cccc1NC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H12FN3O3/c1-8-9(15)4-2-5-10(8)17-14(21)18-11-6-3-7-16-12(11)13(19)20/h2-7H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyYENHINFYSLAKKW-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.87
Rot. Bonds3

About 3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid

3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid (PubChem CID 104743485) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
PubChem CID104743485
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCc1c(F)cccc1NC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H12FN3O3/c1-8-9(15)4-2-5-10(8)17-14(21)18-11-6-3-7-16-12(11)13(19)20/h2-7H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyYENHINFYSLAKKW-UHFFFAOYSA-N
XLogP2.87
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
3-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740235
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195
3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743166
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860101
3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743808
3-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474859

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid (CID 104743485) is 3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid is Cc1c(F)cccc1NC(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is YENHINFYSLAKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-8-9(15)4-2-5-10(8)17-14(21)18-11-6-3-7-16-12(11)13(19)20/h2-7H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 289.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).