4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid

C15H15FN2O2 — CID 63009703

IUPAC4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C15H15FN2O2/c1-10(8-11-2-4-12(16)5-3-11)18-13-6-7-17-14(9-13)15(19)20/h2-7,9-10H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyOZUFJNHDJRYZQQ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.96
Rot. Bonds5

About 4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid

4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid (PubChem CID 63009703) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid
PubChem CID63009703
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C15H15FN2O2/c1-10(8-11-2-4-12(16)5-3-11)18-13-6-7-17-14(9-13)15(19)20/h2-7,9-10H,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyOZUFJNHDJRYZQQ-UHFFFAOYSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
2-fluoro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzoic acid
CID 115485422
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553885
4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
CID 61499911
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109203590
5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
CID 63008488
N-(4-fluorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201597
1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone
CID 130645621
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
2-fluoro-5-[1-(4-hydroxyphenyl)propan-2-ylamino]benzoic acid
CID 115494141

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid (CID 63009703) is 4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid is CC(Cc1ccc(F)cc1)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid?
The InChIKey is OZUFJNHDJRYZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10(8-11-2-4-12(16)5-3-11)18-13-6-7-17-14(9-13)15(19)20/h2-7,9-10H,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid?
4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63009703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).