3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid

C16H17FN2O2 — CID 105382162

IUPAC3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(CCc1ccccc1)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C16H17FN2O2/c1-11(7-8-12-5-3-2-4-6-12)19-15-14(17)13(16(20)21)9-10-18-15/h2-6,9-11H,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyIAQJXLMITHUZAX-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.35
Rot. Bonds6

About 3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid

3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 105382162) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID105382162
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(CCc1ccccc1)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C16H17FN2O2/c1-11(7-8-12-5-3-2-4-6-12)19-15-14(17)13(16(20)21)9-10-18-15/h2-6,9-11H,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyIAQJXLMITHUZAX-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382664
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382171
5-fluoro-2-(4-phenylbutan-2-ylamino)benzoic acid
CID 63673336
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106161995
3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105386176
3-fluoro-2-hydrazinyl-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105388315
2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 79081085
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382240
2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382250

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid (CID 105382162) is 3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid is CC(CCc1ccccc1)Nc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is IAQJXLMITHUZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(7-8-12-5-3-2-4-6-12)19-15-14(17)13(16(20)21)9-10-18-15/h2-6,9-11H,7-8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid?
3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 105382162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).