3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one

C19H26N2O — CID 82525075

IUPAC3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
SMILESCCC(C)n1c(C)ccc(C(N)c2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C19H26N2O/c1-6-14(4)21-15(5)8-10-17(19(21)22)18(20)16-9-7-12(2)13(3)11-16/h7-11,14,18H,6,20H2,1-5H3
InChIKeyQNPMSZFMGPEFSH-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.79
Rot. Bonds4

About 3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one

3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one (PubChem CID 82525075) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
PubChem CID82525075
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
SMILESCCC(C)n1c(C)ccc(C(N)c2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C19H26N2O/c1-6-14(4)21-15(5)8-10-17(19(21)22)18(20)16-9-7-12(2)13(3)11-16/h7-11,14,18H,6,20H2,1-5H3
InChIKeyQNPMSZFMGPEFSH-UHFFFAOYSA-N
XLogP3.79
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-ylpyridin-2-one
CID 82526838
3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525267
3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one
CID 82524594
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one
CID 82525413
3-[amino(phenyl)methyl]-1-butan-2-yl-6-propan-2-ylpyridin-2-one
CID 82524252
3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525271
3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523202
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole
CID 7036282
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802611

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one?
The IUPAC name of 3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one (CID 82525075) is 3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one.
What is the SMILES notation for 3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one?
The canonical SMILES for 3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one is CCC(C)n1c(C)ccc(C(N)c2ccc(C)c(C)c2)c1=O.
What is the InChIKey of 3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one?
The InChIKey is QNPMSZFMGPEFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-6-14(4)21-15(5)8-10-17(19(21)22)18(20)16-9-7-12(2)13(3)11-16/h7-11,14,18H,6,20H2,1-5H3.
What are the key properties of 3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one?
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one has a molecular weight of 298.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one is sourced from PubChem (CID 82525075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).