4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile

C18H15N3S — CID 112797814

IUPAC4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCc2ccc3ccccc3n2)n1
InChIInChI=1S/C18H15N3S/c1-12-9-13(2)20-18(16(12)10-19)22-11-15-8-7-14-5-3-4-6-17(14)21-15/h3-9H,11H2,1-2H3
InChIKeyBVYMMSAYKRFCER-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.41
Rot. Bonds3

About 4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile

4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile (PubChem CID 112797814) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
PubChem CID112797814
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCc2ccc3ccccc3n2)n1
InChIInChI=1S/C18H15N3S/c1-12-9-13(2)20-18(16(12)10-19)22-11-15-8-7-14-5-3-4-6-17(14)21-15/h3-9H,11H2,1-2H3
InChIKeyBVYMMSAYKRFCER-UHFFFAOYSA-N
XLogP4.41
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethylphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 2810516
4,6-dimethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 4858805
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 4175552
2-(furan-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658664
2-[(3-cyanophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 40552199
2-[(4-fluorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 724579
2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 866024
4,6-dimethyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 40690388
4,6-dimethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 16588636
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]benzoic acid
CID 28914266
4,6-dimethyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
CID 2794588
2-[2-(2-hydroxyphenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 22330960

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile (CID 112797814) is 4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(SCc2ccc3ccccc3n2)n1.
What is the InChIKey of 4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is BVYMMSAYKRFCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-12-9-13(2)20-18(16(12)10-19)22-11-15-8-7-14-5-3-4-6-17(14)21-15/h3-9H,11H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 305.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(quinolin-2-ylmethylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 112797814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).