4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one

C11H17NO — CID 163379410

IUPAC4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one
SMILESCc1cc(C)c(CC(C)C)c(=O)[nH]1
InChIInChI=1S/C11H17NO/c1-7(2)5-10-8(3)6-9(4)12-11(10)13/h6-7H,5H2,1-4H3,(H,12,13)
InChIKeyRSQVJAQGOVMJDH-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.19
Rot. Bonds2

About 4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one

4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one (PubChem CID 163379410) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one
PubChem CID163379410
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one
SMILESCc1cc(C)c(CC(C)C)c(=O)[nH]1
InChIInChI=1S/C11H17NO/c1-7(2)5-10-8(3)6-9(4)12-11(10)13/h6-7H,5H2,1-4H3,(H,12,13)
InChIKeyRSQVJAQGOVMJDH-UHFFFAOYSA-N
XLogP2.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-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-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one
CID 82526324
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 82526321
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
CID 119694321
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylbutanamide
CID 27170074
(E)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,4,5-trimethylhex-2-enamide
CID 167108291
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 95976656
(2R)-2-(cyclopropylmethoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95977136
4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
CID 118812463
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-propan-2-ylindole-3-carboxamide
CID 122186508
4-ethyl-6-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 137390743
4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one
CID 123804874

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one (CID 163379410) is 4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one is Cc1cc(C)c(CC(C)C)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one?
The InChIKey is RSQVJAQGOVMJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)5-10-8(3)6-9(4)12-11(10)13/h6-7H,5H2,1-4H3,(H,12,13).
What are the key properties of 4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one?
4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one is sourced from PubChem (CID 163379410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).