1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one

C15H15FN2O — CID 176580025

IUPAC1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ncc(-c2cccc(F)c2)cc1N
InChIInChI=1S/C15H15FN2O/c1-9(2)15(19)14-13(17)7-11(8-18-14)10-4-3-5-12(16)6-10/h3-9H,17H2,1-2H3
InChIKeyNGZHVUHQDOFYTE-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.31
Rot. Bonds3

About 1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one

1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one (PubChem CID 176580025) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one
PubChem CID176580025
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ncc(-c2cccc(F)c2)cc1N
InChIInChI=1S/C15H15FN2O/c1-9(2)15(19)14-13(17)7-11(8-18-14)10-4-3-5-12(16)6-10/h3-9H,17H2,1-2H3
InChIKeyNGZHVUHQDOFYTE-UHFFFAOYSA-N
XLogP3.31
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide
CID 177119035
5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 84726572
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
CID 158403612
2-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]propanoic acid
CID 116975230
1-[3-amino-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one;N-(1-cyclohexyl-3-methyl-2-oxobutyl)-2,2-dimethylpropanamide;ethane
CID 176578543
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314266
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid
CID 71093055
ethyl 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate
CID 157404899
2-[3-(3-fluorophenyl)phenoxy]propanoic acid
CID 82044897
5-(3-fluorophenyl)pyridine-3-carboxamide
CID 71303502
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one (CID 176580025) is 1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one is CC(C)C(=O)c1ncc(-c2cccc(F)c2)cc1N.
What is the InChIKey of 1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one?
The InChIKey is NGZHVUHQDOFYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9(2)15(19)14-13(17)7-11(8-18-14)10-4-3-5-12(16)6-10/h3-9H,17H2,1-2H3.
What are the key properties of 1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one?
1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one has a molecular weight of 258.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one is sourced from PubChem (CID 176580025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).