4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

C18H22N4O2 — CID 136766353

IUPAC4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C18H22N4O2/c1-12-6-5-9-22(11-12)16(23)10-14-13(2)20-17(21-18(14)24)15-7-3-4-8-19-15/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,20,21,24)/t12-/m0/s1
InChIKeyQZBNQIYAICBMKQ-LBPRGKRZSA-N
MW326.40 g/mol
LogP1.94
Rot. Bonds3

About 4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136766353) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136766353
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C18H22N4O2/c1-12-6-5-9-22(11-12)16(23)10-14-13(2)20-17(21-18(14)24)15-7-3-4-8-19-15/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,20,21,24)/t12-/m0/s1
InChIKeyQZBNQIYAICBMKQ-LBPRGKRZSA-N
XLogP1.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757579
5-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757578
[(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate
CID 136697436
(3S)-1-[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]piperidine-3-carboxylic acid
CID 137147714
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 136902573
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 136727792
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
CID 135977009
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 136872605
4-[(3S)-1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]benzoic acid
CID 136804322
1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110649386

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 136766353) is 4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N1CCC[C@H](C)C1.
What is the InChIKey of 4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is QZBNQIYAICBMKQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-6-5-9-22(11-12)16(23)10-14-13(2)20-17(21-18(14)24)15-7-3-4-8-19-15/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,20,21,24)/t12-/m0/s1.
What are the key properties of 4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 326.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136766353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).