2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile

C18H15N3OS — CID 44817564

IUPAC2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccsc3)nc(N)c2C#N)cc1
InChIInChI=1S/C18H15N3OS/c1-2-22-14-5-3-12(4-6-14)15-9-17(13-7-8-23-11-13)21-18(20)16(15)10-19/h3-9,11H,2H2,1H3,(H2,20,21)
InChIKeyWZCMWVDGUSMHBO-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.33
Rot. Bonds4

About 2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile

2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile (PubChem CID 44817564) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
PubChem CID44817564
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccsc3)nc(N)c2C#N)cc1
InChIInChI=1S/C18H15N3OS/c1-2-22-14-5-3-12(4-6-14)15-9-17(13-7-8-23-11-13)21-18(20)16(15)10-19/h3-9,11H,2H2,1H3,(H2,20,21)
InChIKeyWZCMWVDGUSMHBO-UHFFFAOYSA-N
XLogP4.33
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile (CID 44817564) is 2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile is CCOc1ccc(-c2cc(-c3ccsc3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The InChIKey is WZCMWVDGUSMHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-2-22-14-5-3-12(4-6-14)15-9-17(13-7-8-23-11-13)21-18(20)16(15)10-19/h3-9,11H,2H2,1H3,(H2,20,21).
What are the key properties of 2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile has a molecular weight of 321.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 44817564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).