5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid

C14H12FN3O3 — CID 63158221

IUPAC5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(F)cc1NC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H12FN3O3/c1-8-2-3-10(15)5-12(8)18-14(21)17-11-4-9(13(19)20)6-16-7-11/h2-7H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyODHDGJUTLBZBNF-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.87
Rot. Bonds3

About 5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid

5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid (PubChem CID 63158221) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
PubChem CID63158221
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(F)cc1NC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H12FN3O3/c1-8-2-3-10(15)5-12(8)18-14(21)17-11-4-9(13(19)20)6-16-7-11/h2-7H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyODHDGJUTLBZBNF-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

5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158030
5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157578
5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157521
3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 6467536
3-[(2,4-difluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 1297024
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
CID 43133007
5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158172
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026
3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
CID 61193250
5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 65308224

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid (CID 63158221) is 5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid is Cc1ccc(F)cc1NC(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is ODHDGJUTLBZBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-8-2-3-10(15)5-12(8)18-14(21)17-11-4-9(13(19)20)6-16-7-11/h2-7H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid?
5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-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 5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63158221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).