2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide

C18H22N4O3 — CID 136793208

IUPAC2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC[C@H]1CCCOC1
InChIInChI=1S/C18H22N4O3/c1-12-15(8-16(23)20-9-13-4-3-7-25-11-13)18(24)22-17(21-12)14-5-2-6-19-10-14/h2,5-6,10,13H,3-4,7-9,11H2,1H3,(H,20,23)(H,21,22,24)/t13-/m1/s1
InChIKeyTZUOCNTWXLYKDB-CYBMUJFWSA-N
MW342.40 g/mol
LogP1.23
Rot. Bonds5

About 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide

2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide (PubChem CID 136793208) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide
PubChem CID136793208
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC[C@H]1CCCOC1
InChIInChI=1S/C18H22N4O3/c1-12-15(8-16(23)20-9-13-4-3-7-25-11-13)18(24)22-17(21-12)14-5-2-6-19-10-14/h2,5-6,10,13H,3-4,7-9,11H2,1H3,(H,20,23)(H,21,22,24)/t13-/m1/s1
InChIKeyTZUOCNTWXLYKDB-CYBMUJFWSA-N
XLogP1.23
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide (CID 136793208) is 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide is Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC[C@H]1CCCOC1.
What is the InChIKey of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide?
The InChIKey is TZUOCNTWXLYKDB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-15(8-16(23)20-9-13-4-3-7-25-11-13)18(24)22-17(21-12)14-5-2-6-19-10-14/h2,5-6,10,13H,3-4,7-9,11H2,1H3,(H,20,23)(H,21,22,24)/t13-/m1/s1.
What are the key properties of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide?
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide is sourced from PubChem (CID 136793208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).