2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile

C18H15N3O2S — CID 166594866

IUPAC2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccs3)nc(N)c2C#N)c(OC)c1
InChIInChI=1S/C18H15N3O2S/c1-22-11-5-6-12(16(8-11)23-2)13-9-15(17-4-3-7-24-17)21-18(20)14(13)10-19/h3-9H,1-2H3,(H2,20,21)
InChIKeyIFNRFXFPVNGVOL-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.95
Rot. Bonds4

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

2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 166594866) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID166594866
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccs3)nc(N)c2C#N)c(OC)c1
InChIInChI=1S/C18H15N3O2S/c1-22-11-5-6-12(16(8-11)23-2)13-9-15(17-4-3-7-24-17)21-18(20)14(13)10-19/h3-9H,1-2H3,(H2,20,21)
InChIKeyIFNRFXFPVNGVOL-UHFFFAOYSA-N
XLogP3.95
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile (CID 166594866) is 2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cccs3)nc(N)c2C#N)c(OC)c1.
What is the InChIKey of 2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is IFNRFXFPVNGVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-22-11-5-6-12(16(8-11)23-2)13-9-15(17-4-3-7-24-17)21-18(20)14(13)10-19/h3-9H,1-2H3,(H2,20,21).
What are the key properties of 2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 337.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 166594866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).