2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile

C14H12N4S — CID 4090682

IUPAC2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile
SMILESCC1(c2ccccc2)C(C#N)=C(N)NC(S)=C1C#N
InChIInChI=1S/C14H12N4S/c1-14(9-5-3-2-4-6-9)10(7-15)12(17)18-13(19)11(14)8-16/h2-6,18-19H,17H2,1H3
InChIKeyHEQWRPRANYPIEG-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.91
Rot. Bonds1

About 2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile

2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile (PubChem CID 4090682) has the molecular formula C14H12N4S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile
PubChem CID4090682
Molecular FormulaC14H12N4S
Molecular Weight268.34 g/mol
Exact Mass268.08
IUPAC Name2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile
SMILESCC1(c2ccccc2)C(C#N)=C(N)NC(S)=C1C#N
InChIInChI=1S/C14H12N4S/c1-14(9-5-3-2-4-6-9)10(7-15)12(17)18-13(19)11(14)8-16/h2-6,18-19H,17H2,1H3
InChIKeyHEQWRPRANYPIEG-UHFFFAOYSA-N
XLogP1.91
TPSA85.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(4-chlorophenyl)-4-methyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile
CID 5146342
(3R,4S)-4-methyl-2-oxo-4-phenyl-6-sulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile
CID 1237855
(4R)-5-acetyl-2-amino-4,6-dimethyl-4-phenylpyran-3-carbonitrile
CID 51982546
(3R,4R,5R)-8-amino-3-hydroxy-4-methyl-1,6-dioxo-3-phenyl-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile
CID 98085178
2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 3745030
1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile
CID 628258
5,9-diamino-7,10-diphenyl-1,4-diazatricyclo[5.2.1.04,10]deca-5,8-diene-6,8-dicarbonitrile
CID 1275920
6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carboxamide
CID 4255221
(5S)-2-amino-5-butyl-5-phenylcyclopenta-1,3-diene-1-carbonitrile
CID 134921096
2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
CID 13227702
1-amino-3,3-dimethyl-4H-naphthalene-2-carbonitrile
CID 2842471
2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile
CID 15830924

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile (CID 4090682) is 2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile is CC1(c2ccccc2)C(C#N)=C(N)NC(S)=C1C#N.
What is the InChIKey of 2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is HEQWRPRANYPIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-14(9-5-3-2-4-6-9)10(7-15)12(17)18-13(19)11(14)8-16/h2-6,18-19H,17H2,1H3.
What are the key properties of 2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 268.34 g/mol, XLogP of 1.91, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 4090682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).