3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile

C17H12N4OS — CID 67485792

IUPAC3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1C#N
InChIInChI=1S/C17H12N4OS/c1-12-15(5-4-8-19-12)22-16-9-13(11-21-14(16)10-18)23-17-6-2-3-7-20-17/h2-9,11H,1H3
InChIKeyLAQJYCBNJOIJNY-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.00
Rot. Bonds4

About 3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile

3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile (PubChem CID 67485792) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile
PubChem CID67485792
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1C#N
InChIInChI=1S/C17H12N4OS/c1-12-15(5-4-8-19-12)22-16-9-13(11-21-14(16)10-18)23-17-6-2-3-7-20-17/h2-9,11H,1H3
InChIKeyLAQJYCBNJOIJNY-UHFFFAOYSA-N
XLogP4.00
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile?
The IUPAC name of 3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile (CID 67485792) is 3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile?
The canonical SMILES for 3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile is Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1C#N.
What is the InChIKey of 3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile?
The InChIKey is LAQJYCBNJOIJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c1-12-15(5-4-8-19-12)22-16-9-13(11-21-14(16)10-18)23-17-6-2-3-7-20-17/h2-9,11H,1H3.
What are the key properties of 3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile?
3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile has a molecular weight of 320.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carbonitrile is sourced from PubChem (CID 67485792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).