2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide

C14H11Cl2N3O2S — CID 3317130

IUPAC2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
SMILESN#CC1=C(SCC(N)=O)NC(=O)CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N3O2S/c15-10-3-1-2-7(13(10)16)8-4-12(21)19-14(9(8)5-17)22-6-11(18)20/h1-3,8H,4,6H2,(H2,18,20)(H,19,21)
InChIKeyQYMBSYGVNBUBLZ-UHFFFAOYSA-N
MW356.23 g/mol
LogP2.55
Rot. Bonds4

About 2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide

2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide (PubChem CID 3317130) has the molecular formula C14H11Cl2N3O2S and a molecular weight of 356.23 g/mol. Its IUPAC name is 2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
PubChem CID3317130
Molecular FormulaC14H11Cl2N3O2S
Molecular Weight356.23 g/mol
Exact Mass354.99
IUPAC Name2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
SMILESN#CC1=C(SCC(N)=O)NC(=O)CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N3O2S/c15-10-3-1-2-7(13(10)16)8-4-12(21)19-14(9(8)5-17)22-6-11(18)20/h1-3,8H,4,6H2,(H2,18,20)(H,19,21)
InChIKeyQYMBSYGVNBUBLZ-UHFFFAOYSA-N
XLogP2.55
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide (CID 3317130) is 2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide is N#CC1=C(SCC(N)=O)NC(=O)CC1c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
The InChIKey is QYMBSYGVNBUBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2S/c15-10-3-1-2-7(13(10)16)8-4-12(21)19-14(9(8)5-17)22-6-11(18)20/h1-3,8H,4,6H2,(H2,18,20)(H,19,21).
What are the key properties of 2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide?
2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide has a molecular weight of 356.23 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyano-4-(2,3-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide is sourced from PubChem (CID 3317130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).