2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile

C19H14N2OS2 — CID 102574869

IUPAC2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile
SMILESCSc1nc(SC)c(C(=O)c2ccc3ccccc3c2)cc1C#N
InChIInChI=1S/C19H14N2OS2/c1-23-18-15(11-20)10-16(19(21-18)24-2)17(22)14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,1-2H3
InChIKeyCOOCNZOZZSQDRE-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.78
Rot. Bonds4

About 2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile

2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile (PubChem CID 102574869) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile
PubChem CID102574869
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC Name2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile
SMILESCSc1nc(SC)c(C(=O)c2ccc3ccccc3c2)cc1C#N
InChIInChI=1S/C19H14N2OS2/c1-23-18-15(11-20)10-16(19(21-18)24-2)17(22)14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,1-2H3
InChIKeyCOOCNZOZZSQDRE-UHFFFAOYSA-N
XLogP4.78
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile
CID 59797225
dinaphthalen-2-ylmethanone
CID 10945915
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
(3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone
CID 102811693
5-benzoyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 2321178
(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
CID 82685979
6-methyl-2-methylsulfanyl-5-(2-pyridin-1-ium-1-ylacetyl)pyridine-3-carbonitrile
CID 2325796
(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
CID 114970378
6-methyl-5-[2-(4-methylpyridin-1-ium-1-yl)acetyl]-2-methylsulfanylpyridine-3-carbonitrile
CID 2325782
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile (CID 102574869) is 2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile is CSc1nc(SC)c(C(=O)c2ccc3ccccc3c2)cc1C#N.
What is the InChIKey of 2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile?
The InChIKey is COOCNZOZZSQDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS2/c1-23-18-15(11-20)10-16(19(21-18)24-2)17(22)14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,1-2H3.
What are the key properties of 2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile?
2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile has a molecular weight of 350.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 102574869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).