2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide

C17H14N4O2S — CID 135485463

IUPAC2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccn1
InChIInChI=1S/C17H14N4O2S/c22-15-10-13(12-6-2-1-3-7-12)19-17(21-15)24-11-16(23)20-14-8-4-5-9-18-14/h1-10H,11H2,(H,18,20,23)(H,19,21,22)
InChIKeyGEUGDSCMGCWFML-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.56
Rot. Bonds5

About 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide

2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 135485463) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID135485463
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccn1
InChIInChI=1S/C17H14N4O2S/c22-15-10-13(12-6-2-1-3-7-12)19-17(21-15)24-11-16(23)20-14-8-4-5-9-18-14/h1-10H,11H2,(H,18,20,23)(H,19,21,22)
InChIKeyGEUGDSCMGCWFML-UHFFFAOYSA-N
XLogP2.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-pyridin-3-ylphenyl)acetamide
CID 71601108
2-((4-Oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-phenylpyridin-2-yl)acetamide
CID 71601111
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
CID 71601251
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-thiophen-2-yl-2-pyridinyl)acetamide
CID 71601389
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methylpyridin-2-yl)-3-phenylurea
CID 912947
N-(4-methylphenyl)-N'-2-pyridinylethanediamide
CID 2245812
3-Methyl-2-(2-phenylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 9882994
N-(2-aminophenyl)-3-(6-(benzylamino)pyridin-3-yl)acrylamide
CID 22478932
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-phenylpyrimidin-2-yl)acetamide
CID 71601250
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 71601252
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-thiophen-3-yl-2-pyridinyl)acetamide
CID 71601255

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide (CID 135485463) is 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide is O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccn1.
What is the InChIKey of 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is GEUGDSCMGCWFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c22-15-10-13(12-6-2-1-3-7-12)19-17(21-15)24-11-16(23)20-14-8-4-5-9-18-14/h1-10H,11H2,(H,18,20,23)(H,19,21,22).
What are the key properties of 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide?
2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 338.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 135485463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).