3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one

C17H21FN2O — CID 82519652

IUPAC3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one
SMILESCCC(C)NCc1ccc(-c2ccc(F)cc2)n(C)c1=O
InChIInChI=1S/C17H21FN2O/c1-4-12(2)19-11-14-7-10-16(20(3)17(14)21)13-5-8-15(18)9-6-13/h5-10,12,19H,4,11H2,1-3H3
InChIKeyORIUCIBEXHIVCJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.08
Rot. Bonds5

About 3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one

3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one (PubChem CID 82519652) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one
PubChem CID82519652
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one
SMILESCCC(C)NCc1ccc(-c2ccc(F)cc2)n(C)c1=O
InChIInChI=1S/C17H21FN2O/c1-4-12(2)19-11-14-7-10-16(20(3)17(14)21)13-5-8-15(18)9-6-13/h5-10,12,19H,4,11H2,1-3H3
InChIKeyORIUCIBEXHIVCJ-UHFFFAOYSA-N
XLogP3.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82517956
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525364
6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519507
3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525147
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one
CID 82526711
3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82527159
3-(butylaminomethyl)-6-(4-chlorophenyl)-1-methylpyridin-2-one
CID 82519366
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526542
1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82519547
6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one
CID 82521254

Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one (CID 82519652) is 3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one is CCC(C)NCc1ccc(-c2ccc(F)cc2)n(C)c1=O.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one?
The InChIKey is ORIUCIBEXHIVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-4-12(2)19-11-14-7-10-16(20(3)17(14)21)13-5-8-15(18)9-6-13/h5-10,12,19H,4,11H2,1-3H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one?
3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one has a molecular weight of 288.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82519652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).