3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid

C15H13FN2O3 — CID 82321705

IUPAC3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccncc1)c1ccccc1F
InChIInChI=1S/C15H13FN2O3/c16-12-3-1-2-4-13(12)18(10-7-14(19)20)15(21)11-5-8-17-9-6-11/h1-6,8-9H,7,10H2,(H,19,20)
InChIKeyGKHUODITNWJPPF-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.34
Rot. Bonds5

About 3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid

3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid (PubChem CID 82321705) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid
PubChem CID82321705
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccncc1)c1ccccc1F
InChIInChI=1S/C15H13FN2O3/c16-12-3-1-2-4-13(12)18(10-7-14(19)20)15(21)11-5-8-17-9-6-11/h1-6,8-9H,7,10H2,(H,19,20)
InChIKeyGKHUODITNWJPPF-UHFFFAOYSA-N
XLogP2.34
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
CID 28764280
N-ethyl-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62174207
3-[N-(2-aminoethyl)-2-fluoroanilino]propanoic acid
CID 117013428
2-[N-(pyridine-4-carbonyl)anilino]ethyl 2-fluorobenzoate
CID 21237376
3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid
CID 82321721
benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
(2-fluorophenyl)-(2-phenylethyl)carbamic acid
CID 154111603
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-(2-fluoro-N-prop-2-enylanilino)propanoic acid
CID 82317541
3-(N-butyl-2-fluoroanilino)propanoic acid
CID 82317948
2-(N-acetyl-2-fluoroanilino)acetic acid
CID 28765395

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid?
The IUPAC name of 3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid (CID 82321705) is 3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid.
What is the SMILES notation for 3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid?
The canonical SMILES for 3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid is O=C(O)CCN(C(=O)c1ccncc1)c1ccccc1F.
What is the InChIKey of 3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid?
The InChIKey is GKHUODITNWJPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-12-3-1-2-4-13(12)18(10-7-14(19)20)15(21)11-5-8-17-9-6-11/h1-6,8-9H,7,10H2,(H,19,20).
What are the key properties of 3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid?
3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid has a molecular weight of 288.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid is sourced from PubChem (CID 82321705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).