2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile

C17H13N3S — CID 934303

IUPAC2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccs1
InChIInChI=1S/C17H13N3S/c1-11-15(14-8-5-9-21-14)13(10-18)17(19)20-16(11)12-6-3-2-4-7-12/h2-9H,1H3,(H2,19,20)
InChIKeyQRGCAFKEILUVOV-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.24
Rot. Bonds2

About 2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile

2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 934303) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID934303
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccs1
InChIInChI=1S/C17H13N3S/c1-11-15(14-8-5-9-21-14)13(10-18)17(19)20-16(11)12-6-3-2-4-7-12/h2-9H,1H3,(H2,19,20)
InChIKeyQRGCAFKEILUVOV-UHFFFAOYSA-N
XLogP4.24
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile (CID 934303) is 2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile is Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccs1.
What is the InChIKey of 2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is QRGCAFKEILUVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-11-15(14-8-5-9-21-14)13(10-18)17(19)20-16(11)12-6-3-2-4-7-12/h2-9H,1H3,(H2,19,20).
What are the key properties of 2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 291.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 934303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).