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

C16H11N3S — CID 44817523

IUPAC2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccsc2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C16H11N3S/c17-9-14-13(12-6-7-20-10-12)8-15(19-16(14)18)11-4-2-1-3-5-11/h1-8,10H,(H2,18,19)
InChIKeyLAMXJZBUJRLGFR-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.93
Rot. Bonds2

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

2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile (PubChem CID 44817523) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile
PubChem CID44817523
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC Name2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccsc2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C16H11N3S/c17-9-14-13(12-6-7-20-10-12)8-15(19-16(14)18)11-4-2-1-3-5-11/h1-8,10H,(H2,18,19)
InChIKeyLAMXJZBUJRLGFR-UHFFFAOYSA-N
XLogP3.93
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile (CID 44817523) is 2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccsc2)cc(-c2ccccc2)nc1N.
What is the InChIKey of 2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile?
The InChIKey is LAMXJZBUJRLGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S/c17-9-14-13(12-6-7-20-10-12)8-15(19-16(14)18)11-4-2-1-3-5-11/h1-8,10H,(H2,18,19).
What are the key properties of 2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile?
2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile has a molecular weight of 277.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenyl-4-thiophen-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 44817523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).