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

C18H15N3S — CID 937999

IUPAC2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccs1
InChIInChI=1S/C18H15N3S/c1-2-13-16(15-9-6-10-22-15)14(11-19)18(20)21-17(13)12-7-4-3-5-8-12/h3-10H,2H2,1H3,(H2,20,21)
InChIKeyKBJRBPRENJJKMQ-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.49
Rot. Bonds3

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

2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 937999) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID937999
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccs1
InChIInChI=1S/C18H15N3S/c1-2-13-16(15-9-6-10-22-15)14(11-19)18(20)21-17(13)12-7-4-3-5-8-12/h3-10H,2H2,1H3,(H2,20,21)
InChIKeyKBJRBPRENJJKMQ-UHFFFAOYSA-N
XLogP4.49
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile (CID 937999) is 2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile is CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccs1.
What is the InChIKey of 2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is KBJRBPRENJJKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-2-13-16(15-9-6-10-22-15)14(11-19)18(20)21-17(13)12-7-4-3-5-8-12/h3-10H,2H2,1H3,(H2,20,21).
What are the key properties of 2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile?
2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 305.41 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 937999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).