3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one

C17H22N2O — CID 82526914

IUPAC3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one
SMILESCCCCn1cccc(C(N)c2ccc(C)cc2)c1=O
InChIInChI=1S/C17H22N2O/c1-3-4-11-19-12-5-6-15(17(19)20)16(18)14-9-7-13(2)8-10-14/h5-10,12,16H,3-4,11,18H2,1-2H3
InChIKeyJEUUSTZCUIKYTC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.00
Rot. Bonds5

About 3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one

3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one (PubChem CID 82526914) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one
PubChem CID82526914
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one
SMILESCCCCn1cccc(C(N)c2ccc(C)cc2)c1=O
InChIInChI=1S/C17H22N2O/c1-3-4-11-19-12-5-6-15(17(19)20)16(18)14-9-7-13(2)8-10-14/h5-10,12,16H,3-4,11,18H2,1-2H3
InChIKeyJEUUSTZCUIKYTC-UHFFFAOYSA-N
XLogP3.00
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.00
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-butylpyridin-2-one?
The IUPAC name of 3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one (CID 82526914) is 3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one.
What is the SMILES notation for 3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one?
The canonical SMILES for 3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one is CCCCn1cccc(C(N)c2ccc(C)cc2)c1=O.
What is the InChIKey of 3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one?
The InChIKey is JEUUSTZCUIKYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-4-11-19-12-5-6-15(17(19)20)16(18)14-9-7-13(2)8-10-14/h5-10,12,16H,3-4,11,18H2,1-2H3.
What are the key properties of 3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one?
3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.00, 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-butylpyridin-2-one is sourced from PubChem (CID 82526914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).