4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one

C21H26N4O3 — CID 136532660

IUPAC4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCCC(=O)C1CCCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C21H26N4O3/c1-3-18(26)17-6-4-5-13-25(17)19(27)8-7-16-14(2)23-20(24-21(16)28)15-9-11-22-12-10-15/h9-12,17H,3-8,13H2,1-2H3,(H,23,24,28)
InChIKeyZQHDRQFZUHDHSP-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.43
Rot. Bonds6

About 4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one

4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136532660) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136532660
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCCC(=O)C1CCCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C21H26N4O3/c1-3-18(26)17-6-4-5-13-25(17)19(27)8-7-16-14(2)23-20(24-21(16)28)15-9-11-22-12-10-15/h9-12,17H,3-8,13H2,1-2H3,(H,23,24,28)
InChIKeyZQHDRQFZUHDHSP-UHFFFAOYSA-N
XLogP2.43
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 136532660) is 4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one is CCC(=O)C1CCCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of 4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is ZQHDRQFZUHDHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-18(26)17-6-4-5-13-25(17)19(27)8-7-16-14(2)23-20(24-21(16)28)15-9-11-22-12-10-15/h9-12,17H,3-8,13H2,1-2H3,(H,23,24,28).
What are the key properties of 4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 382.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136532660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).