2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile

C15H14N4S — CID 605837

IUPAC2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCSC1=C(C#N)C(c2ccccc2C)C(C#N)=C(N)N1
InChIInChI=1S/C15H14N4S/c1-9-5-3-4-6-10(9)13-11(7-16)14(18)19-15(20-2)12(13)8-17/h3-6,13,19H,18H2,1-2H3
InChIKeyHVXOJVBGBYEBTH-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.47
Rot. Bonds2

About 2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile

2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 605837) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID605837
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCSC1=C(C#N)C(c2ccccc2C)C(C#N)=C(N)N1
InChIInChI=1S/C15H14N4S/c1-9-5-3-4-6-10(9)13-11(7-16)14(18)19-15(20-2)12(13)8-17/h3-6,13,19H,18H2,1-2H3
InChIKeyHVXOJVBGBYEBTH-UHFFFAOYSA-N
XLogP2.47
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 605837) is 2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile is CSC1=C(C#N)C(c2ccccc2C)C(C#N)=C(N)N1.
What is the InChIKey of 2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is HVXOJVBGBYEBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-9-5-3-4-6-10(9)13-11(7-16)14(18)19-15(20-2)12(13)8-17/h3-6,13,19H,18H2,1-2H3.
What are the key properties of 2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile?
2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 282.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 605837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).