3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one

C16H19FN2O — CID 82525271

IUPAC3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1ccc(C(N)c2ccc(F)cc2)c(=O)n1C(C)C
InChIInChI=1S/C16H19FN2O/c1-10(2)19-11(3)4-9-14(16(19)20)15(18)12-5-7-13(17)8-6-12/h4-10,15H,18H2,1-3H3
InChIKeyIUHHQKWLTTUKMF-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.92
Rot. Bonds3

About 3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one

3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one (PubChem CID 82525271) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
PubChem CID82525271
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
SMILESCc1ccc(C(N)c2ccc(F)cc2)c(=O)n1C(C)C
InChIInChI=1S/C16H19FN2O/c1-10(2)19-11(3)4-9-14(16(19)20)15(18)12-5-7-13(17)8-6-12/h4-10,15H,18H2,1-3H3
InChIKeyIUHHQKWLTTUKMF-UHFFFAOYSA-N
XLogP2.92
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525267
3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525499
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
CID 82525075
bis(4-fluorophenyl)methanamine
CID 10955039
3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
CID 82526128
3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
CID 82526120
3-[amino-(4-methoxyphenyl)methyl]-1-cyclopropyl-6-methylpyridin-2-one
CID 82525197
3-(4-fluorophenyl)pentan-2-amine
CID 66437850
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one
CID 82466922
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43589009
3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523202

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one (CID 82525271) is 3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one is Cc1ccc(C(N)c2ccc(F)cc2)c(=O)n1C(C)C.
What is the InChIKey of 3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one?
The InChIKey is IUHHQKWLTTUKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-10(2)19-11(3)4-9-14(16(19)20)15(18)12-5-7-13(17)8-6-12/h4-10,15H,18H2,1-3H3.
What are the key properties of 3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one?
3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one has a molecular weight of 274.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82525271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).