6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile

C15H15N3S — CID 133392674

IUPAC6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile
SMILESCCSCc1cccc(Nc2cccc(C#N)n2)c1
InChIInChI=1S/C15H15N3S/c1-2-19-11-12-5-3-6-13(9-12)17-15-8-4-7-14(10-16)18-15/h3-9H,2,11H2,1H3,(H,17,18)
InChIKeyQAEPDCVMAINQMI-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.95
Rot. Bonds5

About 6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile

6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile (PubChem CID 133392674) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile
PubChem CID133392674
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile
SMILESCCSCc1cccc(Nc2cccc(C#N)n2)c1
InChIInChI=1S/C15H15N3S/c1-2-19-11-12-5-3-6-13(9-12)17-15-8-4-7-14(10-16)18-15/h3-9H,2,11H2,1H3,(H,17,18)
InChIKeyQAEPDCVMAINQMI-UHFFFAOYSA-N
XLogP3.95
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile
CID 133484065
6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile
CID 133392722
methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate
CID 133416630
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile
CID 133392258
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431
3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile
CID 133392490
6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile
CID 133392430

Frequently Asked Questions

What is the IUPAC name of 6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile (CID 133392674) is 6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile is CCSCc1cccc(Nc2cccc(C#N)n2)c1.
What is the InChIKey of 6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile?
The InChIKey is QAEPDCVMAINQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-19-11-12-5-3-6-13(9-12)17-15-8-4-7-14(10-16)18-15/h3-9H,2,11H2,1H3,(H,17,18).
What are the key properties of 6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile?
6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile has a molecular weight of 269.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).