2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile

C17H10N4OS — CID 139219253

IUPAC2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#CCSc1nc(-c2cccnc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C17H10N4OS/c18-5-8-23-17-14(10-19)13(16-4-2-7-22-16)9-15(21-17)12-3-1-6-20-11-12/h1-4,6-7,9,11H,8H2
InChIKeyQAPVKEFAOMCJJP-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.89
Rot. Bonds4

About 2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile

2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 139219253) has the molecular formula C17H10N4OS and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID139219253
Molecular FormulaC17H10N4OS
Molecular Weight318.36 g/mol
Exact Mass318.06
IUPAC Name2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#CCSc1nc(-c2cccnc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C17H10N4OS/c18-5-8-23-17-14(10-19)13(16-4-2-7-22-16)9-15(21-17)12-3-1-6-20-11-12/h1-4,6-7,9,11H,8H2
InChIKeyQAPVKEFAOMCJJP-UHFFFAOYSA-N
XLogP3.89
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyanomethylsulfanyl)-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 3125152
2-[[3-cyano-4-(4-methoxyphenyl)-6-pyridin-3-yl-2-pyridinyl]sulfanyl]acetamide
CID 46242707
ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]sulfanyl]-3-oxobutanoate
CID 15359410
4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 143568430
2-amino-4-(furan-2-yl)-5-propyl-6-pyridin-3-ylpyridine-3-carbonitrile
CID 56861364
2-[2-(3,5-dimethylpyrazol-1-yl)-2-sulfanylideneethyl]sulfanyl-6-(4-fluorophenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 4188968
2-(cyanomethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 3135060
3-(furan-2-yl)-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9464173
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(3,4-dimethoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 155811577
2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 3380391
N-[6-(furan-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]propanamide
CID 59683102
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile (CID 139219253) is 2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile is N#CCSc1nc(-c2cccnc2)cc(-c2ccco2)c1C#N.
What is the InChIKey of 2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is QAPVKEFAOMCJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4OS/c18-5-8-23-17-14(10-19)13(16-4-2-7-22-16)9-15(21-17)12-3-1-6-20-11-12/h1-4,6-7,9,11H,8H2.
What are the key properties of 2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile?
2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 318.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 139219253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).