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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526360
3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526521
3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526362
3-amino-1-butylpyridin-2-one
CID 62102283
3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one
CID 82525958
1-butyl-3-iodopyridin-2-one
CID 79785091
3-amino-1-pentylpyridin-2-one
CID 62102446
3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one
CID 82526767
3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one
CID 82526973
3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one
CID 82527206
1-butyl-2-methylpyrrole
CID 66974034
3-[amino-(2,5-dimethylphenyl)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525129

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).