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

C18H24N2O2 — CID 82525267

IUPAC3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
SMILESCOc1ccc(C(N)c2ccc(C)n(C(C)C)c2=O)cc1C
InChIInChI=1S/C18H24N2O2/c1-11(2)20-13(4)6-8-15(18(20)21)17(19)14-7-9-16(22-5)12(3)10-14/h6-11,17H,19H2,1-5H3
InChIKeyQUISJSNOLBSBPG-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.10
Rot. Bonds4

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

3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one (PubChem CID 82525267) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
PubChem CID82525267
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
SMILESCOc1ccc(C(N)c2ccc(C)n(C(C)C)c2=O)cc1C
InChIInChI=1S/C18H24N2O2/c1-11(2)20-13(4)6-8-15(18(20)21)17(19)14-7-9-16(22-5)12(3)10-14/h6-11,17H,19H2,1-5H3
InChIKeyQUISJSNOLBSBPG-UHFFFAOYSA-N
XLogP3.10
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one
CID 82525413
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
CID 82525075
3-[amino-(4-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525271
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one
CID 82527052
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
3-[amino-(4-methoxyphenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
CID 82526120
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016
3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one
CID 82524594
3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523202
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525489

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one (CID 82525267) is 3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one is COc1ccc(C(N)c2ccc(C)n(C(C)C)c2=O)cc1C.
What is the InChIKey of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one?
The InChIKey is QUISJSNOLBSBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11(2)20-13(4)6-8-15(18(20)21)17(19)14-7-9-16(22-5)12(3)10-14/h6-11,17H,19H2,1-5H3.
What are the key properties of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one?
3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82525267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).