3-methyl-1,4-di(propan-2-yl)pyridin-2-one

C12H19NO — CID 129302753

IUPAC3-methyl-1,4-di(propan-2-yl)pyridin-2-one
SMILESCc1c(C(C)C)ccn(C(C)C)c1=O
InChIInChI=1S/C12H19NO/c1-8(2)11-6-7-13(9(3)4)12(14)10(11)5/h6-9H,1-5H3
InChIKeyQPEDNSNSYVROLB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.86
Rot. Bonds2

About 3-methyl-1,4-di(propan-2-yl)pyridin-2-one

3-methyl-1,4-di(propan-2-yl)pyridin-2-one (PubChem CID 129302753) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methyl-1,4-di(propan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1,4-di(propan-2-yl)pyridin-2-one
PubChem CID129302753
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-methyl-1,4-di(propan-2-yl)pyridin-2-one
SMILESCc1c(C(C)C)ccn(C(C)C)c1=O
InChIInChI=1S/C12H19NO/c1-8(2)11-6-7-13(9(3)4)12(14)10(11)5/h6-9H,1-5H3
InChIKeyQPEDNSNSYVROLB-UHFFFAOYSA-N
XLogP2.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-di(propan-2-yl)pyridin-2-one?
The IUPAC name of 3-methyl-1,4-di(propan-2-yl)pyridin-2-one (CID 129302753) is 3-methyl-1,4-di(propan-2-yl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1,4-di(propan-2-yl)pyridin-2-one?
The canonical SMILES for 3-methyl-1,4-di(propan-2-yl)pyridin-2-one is Cc1c(C(C)C)ccn(C(C)C)c1=O.
What is the InChIKey of 3-methyl-1,4-di(propan-2-yl)pyridin-2-one?
The InChIKey is QPEDNSNSYVROLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)11-6-7-13(9(3)4)12(14)10(11)5/h6-9H,1-5H3.
What are the key properties of 3-methyl-1,4-di(propan-2-yl)pyridin-2-one?
3-methyl-1,4-di(propan-2-yl)pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-di(propan-2-yl)pyridin-2-one is sourced from PubChem (CID 129302753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).