6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

C17H14N2O2S — CID 2841196

IUPAC6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESN#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccco1
InChIInChI=1S/C17H14N2O2S/c18-10-14-13(15-7-4-8-21-15)9-16(20)19-17(14)22-11-12-5-2-1-3-6-12/h1-8,13H,9,11H2,(H,19,20)
InChIKeyOOEOTGJSEMNLPC-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.55
Rot. Bonds4

About 6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 2841196) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID2841196
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESN#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccco1
InChIInChI=1S/C17H14N2O2S/c18-10-14-13(15-7-4-8-21-15)9-16(20)19-17(14)22-11-12-5-2-1-3-6-12/h1-8,13H,9,11H2,(H,19,20)
InChIKeyOOEOTGJSEMNLPC-UHFFFAOYSA-N
XLogP3.55
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 2841196) is 6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is N#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccco1.
What is the InChIKey of 6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is OOEOTGJSEMNLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c18-10-14-13(15-7-4-8-21-15)9-16(20)19-17(14)22-11-12-5-2-1-3-6-12/h1-8,13H,9,11H2,(H,19,20).
What are the key properties of 6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 310.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 2841196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).