6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid

C16H15FN2O2 — CID 122057127

IUPAC6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CC(c3cccc(F)c3)C2)n1
InChIInChI=1S/C16H15FN2O2/c17-12-4-1-3-10(7-12)11-8-13(9-11)18-15-6-2-5-14(19-15)16(20)21/h1-7,11,13H,8-9H2,(H,18,19)(H,20,21)
InChIKeyJSHNCZULBXSFIB-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.28
Rot. Bonds4

About 6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid

6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid (PubChem CID 122057127) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid
PubChem CID122057127
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CC(c3cccc(F)c3)C2)n1
InChIInChI=1S/C16H15FN2O2/c17-12-4-1-3-10(7-12)11-8-13(9-11)18-15-6-2-5-14(19-15)16(20)21/h1-7,11,13H,8-9H2,(H,18,19)(H,20,21)
InChIKeyJSHNCZULBXSFIB-UHFFFAOYSA-N
XLogP3.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]pyridin-2-amine
CID 115619378
2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid
CID 43635194
N-[3-(3-fluorophenyl)cyclobutyl]pyrazin-2-amine
CID 122139755
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
CID 43633216
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918
6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid
CID 122058210
6-[(2-methylcyclopropyl)amino]pyridine-2-carboxylic acid
CID 62409955
6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 114541236
5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
CID 122052048
2,6-dichloro-4-[[3-(3-fluorophenyl)cyclobutyl]amino]phenol
CID 107679299
6-[(3-aminocyclobutyl)amino]pyridine-2-carboxamide
CID 64588385

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid (CID 122057127) is 6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC2CC(c3cccc(F)c3)C2)n1.
What is the InChIKey of 6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid?
The InChIKey is JSHNCZULBXSFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-12-4-1-3-10(7-12)11-8-13(9-11)18-15-6-2-5-14(19-15)16(20)21/h1-7,11,13H,8-9H2,(H,18,19)(H,20,21).
What are the key properties of 6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid?
6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).