3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid

C15H13FN2O3 — CID 104638373

IUPAC3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C15H13FN2O3/c16-11-4-7-13(17-9-11)15(21)18-12-5-1-10(2-6-12)3-8-14(19)20/h1-2,4-7,9H,3,8H2,(H,18,21)(H,19,20)
InChIKeyBKPDQLGUXMPTPO-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.49
Rot. Bonds5

About 3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid

3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid (PubChem CID 104638373) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid
PubChem CID104638373
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C15H13FN2O3/c16-11-4-7-13(17-9-11)15(21)18-12-5-1-10(2-6-12)3-8-14(19)20/h1-2,4-7,9H,3,8H2,(H,18,21)(H,19,20)
InChIKeyBKPDQLGUXMPTPO-UHFFFAOYSA-N
XLogP2.49
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
CID 45086782
N-[4-[(2E)-2-amino-2-hydroxyiminoethyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 104639473
N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 106910526
3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 81368393
5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide
CID 58315768
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
N-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445
5-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104642279
6-[[4-(2-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 61236807
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid (CID 104638373) is 3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)c2ccc(F)cn2)cc1.
What is the InChIKey of 3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is BKPDQLGUXMPTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-11-4-7-13(17-9-11)15(21)18-12-5-1-10(2-6-12)3-8-14(19)20/h1-2,4-7,9H,3,8H2,(H,18,21)(H,19,20).
What are the key properties of 3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid?
3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 288.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 104638373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).