1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one

C20H28N2O2 — CID 126486898

IUPAC1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1ccc(=O)n(CCC(C)Cc2ccn(C)c(=O)c2)c1
InChIInChI=1S/C20H28N2O2/c1-15(2)11-18-5-6-19(23)22(14-18)10-7-16(3)12-17-8-9-21(4)20(24)13-17/h5-6,8-9,13-16H,7,10-12H2,1-4H3
InChIKeyOECKJTAPBFPANX-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.01
Rot. Bonds7

About 1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one

1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one (PubChem CID 126486898) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one
PubChem CID126486898
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1ccc(=O)n(CCC(C)Cc2ccn(C)c(=O)c2)c1
InChIInChI=1S/C20H28N2O2/c1-15(2)11-18-5-6-19(23)22(14-18)10-7-16(3)12-17-8-9-21(4)20(24)13-17/h5-6,8-9,13-16H,7,10-12H2,1-4H3
InChIKeyOECKJTAPBFPANX-UHFFFAOYSA-N
XLogP3.01
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one (CID 126486898) is 1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one is CC(C)Cc1ccc(=O)n(CCC(C)Cc2ccn(C)c(=O)c2)c1.
What is the InChIKey of 1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one?
The InChIKey is OECKJTAPBFPANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15(2)11-18-5-6-19(23)22(14-18)10-7-16(3)12-17-8-9-21(4)20(24)13-17/h5-6,8-9,13-16H,7,10-12H2,1-4H3.
What are the key properties of 1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one?
1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one has a molecular weight of 328.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(1-methyl-2-oxo-4-pyridinyl)butyl]-5-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 126486898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).