3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one

C18H24N2O — CID 82526767

IUPAC3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one
SMILESCc1ccc(C(N)c2cccn(CC(C)C)c2=O)c(C)c1
InChIInChI=1S/C18H24N2O/c1-12(2)11-20-9-5-6-16(18(20)21)17(19)15-8-7-13(3)10-14(15)4/h5-10,12,17H,11,19H2,1-4H3
InChIKeyIDMAZFKKDQFCEP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.17
Rot. Bonds4

About 3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one

3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one (PubChem CID 82526767) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one
PubChem CID82526767
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one
SMILESCc1ccc(C(N)c2cccn(CC(C)C)c2=O)c(C)c1
InChIInChI=1S/C18H24N2O/c1-12(2)11-20-9-5-6-16(18(20)21)17(19)15-8-7-13(3)10-14(15)4/h5-10,12,17H,11,19H2,1-4H3
InChIKeyIDMAZFKKDQFCEP-UHFFFAOYSA-N
XLogP3.17
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
CID 178098988
3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526362
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one
CID 82442644
3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one
CID 82526914
3-(2-aminoethyl)-1-(2-methylpropyl)pyridin-2-one
CID 105448424
3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525489
4-(2,4-dimethylphenyl)pentan-2-amine
CID 64721851
4-[amino-(2,4-dimethylphenyl)methyl]-6-tert-butyl-2-methylpyridazin-3-one
CID 82443524
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one
CID 107522608
3-[amino-(2,5-dimethylphenyl)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525129
6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one
CID 82442184

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one (CID 82526767) is 3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one is Cc1ccc(C(N)c2cccn(CC(C)C)c2=O)c(C)c1.
What is the InChIKey of 3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is IDMAZFKKDQFCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12(2)11-20-9-5-6-16(18(20)21)17(19)15-8-7-13(3)10-14(15)4/h5-10,12,17H,11,19H2,1-4H3.
What are the key properties of 3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one?
3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2,4-dimethylphenyl)methyl]-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 82526767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).