4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one

C20H24N4O2 — CID 136858546

IUPAC4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(C1CCCCC1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)C1
InChIInChI=1S/C20H24N4O2/c25-18-12-17(22-19(23-18)16-8-4-5-10-21-16)15-9-11-24(13-15)20(26)14-6-2-1-3-7-14/h4-5,8,10,12,14-15H,1-3,6-7,9,11,13H2,(H,22,23,25)
InChIKeyJAKFLCFRDAEJOW-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.73
Rot. Bonds3

About 4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one

4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136858546) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136858546
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(C1CCCCC1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)C1
InChIInChI=1S/C20H24N4O2/c25-18-12-17(22-19(23-18)16-8-4-5-10-21-16)15-9-11-24(13-15)20(26)14-6-2-1-3-7-14/h4-5,8,10,12,14-15H,1-3,6-7,9,11,13H2,(H,22,23,25)
InChIKeyJAKFLCFRDAEJOW-UHFFFAOYSA-N
XLogP2.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 136858546) is 4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one is O=C(C1CCCCC1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)C1.
What is the InChIKey of 4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is JAKFLCFRDAEJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18-12-17(22-19(23-18)16-8-4-5-10-21-16)15-9-11-24(13-15)20(26)14-6-2-1-3-7-14/h4-5,8,10,12,14-15H,1-3,6-7,9,11,13H2,(H,22,23,25).
What are the key properties of 4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 352.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136858546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).