3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one

C18H24N2O — CID 82526194

IUPAC3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(N)c2cc(C)ccc2C)c1=O
InChIInChI=1S/C18H24N2O/c1-6-20-14(5)10-13(4)16(18(20)21)17(19)15-9-11(2)7-8-12(15)3/h7-10,17H,6,19H2,1-5H3
InChIKeyUMFCTYRAIARJRT-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.15
Rot. Bonds3

About 3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one

3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one (PubChem CID 82526194) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one
PubChem CID82526194
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(N)c2cc(C)ccc2C)c1=O
InChIInChI=1S/C18H24N2O/c1-6-20-14(5)10-13(4)16(18(20)21)17(19)15-9-11(2)7-8-12(15)3/h7-10,17H,6,19H2,1-5H3
InChIKeyUMFCTYRAIARJRT-UHFFFAOYSA-N
XLogP3.15
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one (CID 82526194) is 3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one is CCn1c(C)cc(C)c(C(N)c2cc(C)ccc2C)c1=O.
What is the InChIKey of 3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one?
The InChIKey is UMFCTYRAIARJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-6-20-14(5)10-13(4)16(18(20)21)17(19)15-9-11(2)7-8-12(15)3/h7-10,17H,6,19H2,1-5H3.
What are the key properties of 3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one?
3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2,5-dimethylphenyl)methyl]-1-ethyl-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 82526194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).