3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one

C17H22N2O — CID 82526128

IUPAC3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(C)n(C(C)C)c(=O)c1C(N)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-11(2)19-13(4)10-12(3)15(17(19)20)16(18)14-8-6-5-7-9-14/h5-11,16H,18H2,1-4H3
InChIKeyIUVQHPUGDDBMSX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.09
Rot. Bonds3

About 3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one

3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one (PubChem CID 82526128) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
PubChem CID82526128
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(C)n(C(C)C)c(=O)c1C(N)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-11(2)19-13(4)10-12(3)15(17(19)20)16(18)14-8-6-5-7-9-14/h5-11,16H,18H2,1-4H3
InChIKeyIUVQHPUGDDBMSX-UHFFFAOYSA-N
XLogP3.09
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one (CID 82526128) is 3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one is Cc1cc(C)n(C(C)C)c(=O)c1C(N)c1ccccc1.
What is the InChIKey of 3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The InChIKey is IUVQHPUGDDBMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)19-13(4)10-12(3)15(17(19)20)16(18)14-8-6-5-7-9-14/h5-11,16H,18H2,1-4H3.
What are the key properties of 3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82526128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).