2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile

C18H11N3OS — CID 2816444

IUPAC2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccnc2)c2c([nH]c1=O)-c1ccccc1SC2
InChIInChI=1S/C18H11N3OS/c19-8-13-16(11-4-3-7-20-9-11)14-10-23-15-6-2-1-5-12(15)17(14)21-18(13)22/h1-7,9H,10H2,(H,21,22)
InChIKeyHHSLTISAGULVMZ-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.58
Rot. Bonds1

About 2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile

2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile (PubChem CID 2816444) has the molecular formula C18H11N3OS and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile
PubChem CID2816444
Molecular FormulaC18H11N3OS
Molecular Weight317.37 g/mol
Exact Mass317.06
IUPAC Name2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccnc2)c2c([nH]c1=O)-c1ccccc1SC2
InChIInChI=1S/C18H11N3OS/c19-8-13-16(11-4-3-7-20-9-11)14-10-23-15-6-2-1-5-12(15)17(14)21-18(13)22/h1-7,9H,10H2,(H,21,22)
InChIKeyHHSLTISAGULVMZ-UHFFFAOYSA-N
XLogP3.58
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-2-yl-4H-1,3-benzothiazin-4-one
CID 9837640
2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
ST4014630
CID 684061
N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 4878299
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 5060029
N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide
CID 8813525
4-[(pyridin-2-ylthio)methyl]quinolin-2(1H)-one
CID 713898
1-[(2-cyano-3-pyridinyl)methylsulfanyl]-7-fluoro-3-oxo-2H-isoquinoline-4-carbonitrile
CID 57392786
1-[(2-cyano-3-pyridinyl)methylsulfanyl]-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 57396258
2-Pyridin-3-Yl-1,3-Benzothiazin-4-One
CID 9834654
3-(phenylthio)-N-(3-pyridinylmethyl)propanamide
CID 756072
N-(4-methylphenyl)-3-(2-pyridinylsulfanyl)propanamide
CID 851336

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile (CID 2816444) is 2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile is N#Cc1c(-c2cccnc2)c2c([nH]c1=O)-c1ccccc1SC2.
What is the InChIKey of 2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
The InChIKey is HHSLTISAGULVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3OS/c19-8-13-16(11-4-3-7-20-9-11)14-10-23-15-6-2-1-5-12(15)17(14)21-18(13)22/h1-7,9H,10H2,(H,21,22).
What are the key properties of 2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile has a molecular weight of 317.37 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-pyridin-3-yl-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2816444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).