2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile

C17H12N6S — CID 11174953

IUPAC2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22)
InChIKeyMUJWBVGOOQHTTJ-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.09
Rot. Bonds4

About 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 11174953) has the molecular formula C17H12N6S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID11174953
Molecular FormulaC17H12N6S
Molecular Weight332.39 g/mol
Exact Mass332.08
IUPAC Name2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22)
InChIKeyMUJWBVGOOQHTTJ-UHFFFAOYSA-N
XLogP3.09
TPSA115.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile (CID 11174953) is 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is MUJWBVGOOQHTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22).
What are the key properties of 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 332.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11174953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).