2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide

C20H17N3O3S — CID 1108592

About 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide

2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide (PubChem CID 1108592) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
• PubChem CID: 1108592
• Molecular Formula: C20H17N3O3S
• Molecular Weight: 379.44 g/mol
• Exact Mass: 379.10
• IUPAC Name: 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
• SMILES: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccc(O)cc1
• InChI: InChI=1S/C20H17N3O3S/c21-11-17-16(13-6-8-15(24)9-7-13)10-18(25)23-20(17)27-12-19(26)22-14-4-2-1-3-5-14/h1-9,16,24H,10,12H2,(H,22,26)(H,23,25)/t16-/m1/s1
• InChIKey: XKSSIWUZITXPJU-MRXNPFEDSA-N
• XLogP: 3.10
• TPSA: 102.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.44
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide?

The IUPAC name of 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide (CID 1108592) is 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide.

What is the SMILES notation for 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide?

The canonical SMILES for 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide is N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccc(O)cc1.

What is the InChIKey of 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide?

The InChIKey is XKSSIWUZITXPJU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H17N3O3S/c21-11-17-16(13-6-8-15(24)9-7-13)10-18(25)23-20(17)27-12-19(26)22-14-4-2-1-3-5-14/h1-9,16,24H,10,12H2,(H,22,26)(H,23,25)/t16-/m1/s1.

What are the key properties of 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide?

2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 379.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(4R)-5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 1108592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).