6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one

C16H18N4O2 — CID 77083127

IUPAC6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(c3ccncn3)C2)c(=O)[nH]1
InChIInChI=1S/C16H18N4O2/c1-11-4-5-13(15(21)19-11)16(22)20-8-2-3-12(9-20)14-6-7-17-10-18-14/h4-7,10,12H,2-3,8-9H2,1H3,(H,19,21)
InChIKeyGODVKTOTHFQXJW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.49
Rot. Bonds2

About 6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one

6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 77083127) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID77083127
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(c3ccncn3)C2)c(=O)[nH]1
InChIInChI=1S/C16H18N4O2/c1-11-4-5-13(15(21)19-11)16(22)20-8-2-3-12(9-20)14-6-7-17-10-18-14/h4-7,10,12H,2-3,8-9H2,1H3,(H,19,21)
InChIKeyGODVKTOTHFQXJW-UHFFFAOYSA-N
XLogP1.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125021912
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988
3-[3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 110105858
5-methyl-1-[2-oxo-2-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethyl]pyrimidine-2,4-dione
CID 99937306
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683
(2-methoxy-3-pyridinyl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114882
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124942438
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124980175
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 26341767

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one (CID 77083127) is 6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCCC(c3ccncn3)C2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is GODVKTOTHFQXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-4-5-13(15(21)19-11)16(22)20-8-2-3-12(9-20)14-6-7-17-10-18-14/h4-7,10,12H,2-3,8-9H2,1H3,(H,19,21).
What are the key properties of 6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 298.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 77083127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).