2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile

C16H11N3OS — CID 15362191

IUPAC2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(=O)n(-c2ccccc2)c1N
InChIInChI=1S/C16H11N3OS/c17-10-13-12(14-7-4-8-21-14)9-15(20)19(16(13)18)11-5-2-1-3-6-11/h1-9H,18H2
InChIKeyJNESHAIRLZVQNV-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.02
Rot. Bonds2

About 2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile

2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 15362191) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID15362191
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(=O)n(-c2ccccc2)c1N
InChIInChI=1S/C16H11N3OS/c17-10-13-12(14-7-4-8-21-14)9-15(20)19(16(13)18)11-5-2-1-3-6-11/h1-9H,18H2
InChIKeyJNESHAIRLZVQNV-UHFFFAOYSA-N
XLogP3.02
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82081814
2-amino-6-(2-hydroxyphenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 136909232
2-amino-4-thiophen-2-ylfuran-3-carbonitrile
CID 82044048
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
CID 139225060
2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 13088650
2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile
CID 134914501
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82092939
2-amino-6-(3-fluorophenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 5118720
5-amino-2-phenyl-4-thiophen-2-ylfuran-3-carbonitrile
CID 82045455
6-amino-3,3-dimethyl-8-oxo-7-phenyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
CID 3315583

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile (CID 15362191) is 2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile is N#Cc1c(-c2cccs2)cc(=O)n(-c2ccccc2)c1N.
What is the InChIKey of 2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is JNESHAIRLZVQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c17-10-13-12(14-7-4-8-21-14)9-15(20)19(16(13)18)11-5-2-1-3-6-11/h1-9H,18H2.
What are the key properties of 2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 293.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 15362191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).