1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide

C18H22N6O2 — CID 51590871

IUPAC1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)CC1
InChIInChI=1S/C18H22N6O2/c19-17(25)12-3-7-24(8-4-12)18-22-10-13(14-11-20-5-6-21-14)16(23-18)15-2-1-9-26-15/h5-6,10-12,15H,1-4,7-9H2,(H2,19,25)/t15-/m1/s1
InChIKeyZLEWMMGWGZGSFL-OAHLLOKOSA-N
MW354.41 g/mol
LogP1.49
Rot. Bonds4

About 1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide

1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 51590871) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID51590871
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)CC1
InChIInChI=1S/C18H22N6O2/c19-17(25)12-3-7-24(8-4-12)18-22-10-13(14-11-20-5-6-21-14)16(23-18)15-2-1-9-26-15/h5-6,10-12,15H,1-4,7-9H2,(H2,19,25)/t15-/m1/s1
InChIKeyZLEWMMGWGZGSFL-OAHLLOKOSA-N
XLogP1.49
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide (CID 51590871) is 1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncc(-c3cnccn3)c([C@H]3CCCO3)n2)CC1.
What is the InChIKey of 1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is ZLEWMMGWGZGSFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N6O2/c19-17(25)12-3-7-24(8-4-12)18-22-10-13(14-11-20-5-6-21-14)16(23-18)15-2-1-9-26-15/h5-6,10-12,15H,1-4,7-9H2,(H2,19,25)/t15-/m1/s1.
What are the key properties of 1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide?
1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-oxolan-2-yl]-5-pyrazin-2-ylpyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 51590871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).