6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C16H18N4O2 — CID 118783804

IUPAC6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1nccc(C2CCN(C(=O)c3cccc(=O)[nH]3)CC2)n1
InChIInChI=1S/C16H18N4O2/c1-11-17-8-5-13(18-11)12-6-9-20(10-7-12)16(22)14-3-2-4-15(21)19-14/h2-5,8,12H,6-7,9-10H2,1H3,(H,19,21)
InChIKeyXRKSQZQLSDHEFY-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.49
Rot. Bonds2

About 6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 118783804) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID118783804
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1nccc(C2CCN(C(=O)c3cccc(=O)[nH]3)CC2)n1
InChIInChI=1S/C16H18N4O2/c1-11-17-8-5-13(18-11)12-6-9-20(10-7-12)16(22)14-3-2-4-15(21)19-14/h2-5,8,12H,6-7,9-10H2,1H3,(H,19,21)
InChIKeyXRKSQZQLSDHEFY-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-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 107261752
[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 95828534
4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 77087134
6-[4-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56708356
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
2-(azocan-1-yl)-1-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 90650761
6-[4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 110102771
6-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887868
6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126889556
2-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 107261816
[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95824132

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 118783804) is 6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1nccc(C2CCN(C(=O)c3cccc(=O)[nH]3)CC2)n1.
What is the InChIKey of 6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is XRKSQZQLSDHEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-17-8-5-13(18-11)12-6-9-20(10-7-12)16(22)14-3-2-4-15(21)19-14/h2-5,8,12H,6-7,9-10H2,1H3,(H,19,21).
What are the key properties of 6-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-[4-(2-methylpyrimidin-4-yl)piperidine-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-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 118783804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).