2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid

C15H21FN2O2 — CID 105382250

IUPAC2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid
SMILESCCC(Nc1nccc(C(=O)O)c1F)C1CCCCC1
InChIInChI=1S/C15H21FN2O2/c1-2-12(10-6-4-3-5-7-10)18-14-13(16)11(15(19)20)8-9-17-14/h8-10,12H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyVJOLVYVYBSYAJB-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.69
Rot. Bonds5

About 2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid

2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382250) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid
PubChem CID105382250
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid
SMILESCCC(Nc1nccc(C(=O)O)c1F)C1CCCCC1
InChIInChI=1S/C15H21FN2O2/c1-2-12(10-6-4-3-5-7-10)18-14-13(16)11(15(19)20)8-9-17-14/h8-10,12H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyVJOLVYVYBSYAJB-UHFFFAOYSA-N
XLogP3.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
N-(1-cyclohexylpropyl)-3-methylpyrazin-2-amine
CID 83064592
2-amino-5-(1-cyclohexylpropylamino)-4-fluorobenzoic acid
CID 62405653
2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382171
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one
CID 113243776
4-(1-cyclohexylpropylamino)-3,5-difluorobenzoic acid
CID 63539369
N-(1-cyclohexylpropyl)-3-methoxypyridin-2-amine
CID 113370900
2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63539189
2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382661

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid (CID 105382250) is 2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid is CCC(Nc1nccc(C(=O)O)c1F)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is VJOLVYVYBSYAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-12(10-6-4-3-5-7-10)18-14-13(16)11(15(19)20)8-9-17-14/h8-10,12H,2-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid?
2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 280.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).