3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one

C19H26N2O — CID 82525958

IUPAC3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one
SMILESCCCCn1c(C)cc(C)c(C(N)c2ccc(C)cc2)c1=O
InChIInChI=1S/C19H26N2O/c1-5-6-11-21-15(4)12-14(3)17(19(21)22)18(20)16-9-7-13(2)8-10-16/h7-10,12,18H,5-6,11,20H2,1-4H3
InChIKeyMFMPPQURYWCGDX-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.62
Rot. Bonds5

About 3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one

3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one (PubChem CID 82525958) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one
PubChem CID82525958
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one
SMILESCCCCn1c(C)cc(C)c(C(N)c2ccc(C)cc2)c1=O
InChIInChI=1S/C19H26N2O/c1-5-6-11-21-15(4)12-14(3)17(19(21)22)18(20)16-9-7-13(2)8-10-16/h7-10,12,18H,5-6,11,20H2,1-4H3
InChIKeyMFMPPQURYWCGDX-UHFFFAOYSA-N
XLogP3.62
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one (CID 82525958) is 3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one is CCCCn1c(C)cc(C)c(C(N)c2ccc(C)cc2)c1=O.
What is the InChIKey of 3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one?
The InChIKey is MFMPPQURYWCGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-5-6-11-21-15(4)12-14(3)17(19(21)22)18(20)16-9-7-13(2)8-10-16/h7-10,12,18H,5-6,11,20H2,1-4H3.
What are the key properties of 3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one?
3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one has a molecular weight of 298.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 82525958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).