4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine

C19H17N3OS — CID 166630087

IUPAC4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3occc3c2)cc(NCCc2ccsc2)n1
InChIInChI=1S/C19H17N3OS/c20-18-10-16(14-1-2-17-15(9-14)4-7-23-17)11-19(22-18)21-6-3-13-5-8-24-12-13/h1-2,4-5,7-12H,3,6H2,(H3,20,21,22)
InChIKeyPXTROUVPTDFENL-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.79
Rot. Bonds5

About 4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine

4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine (PubChem CID 166630087) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine
PubChem CID166630087
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3occc3c2)cc(NCCc2ccsc2)n1
InChIInChI=1S/C19H17N3OS/c20-18-10-16(14-1-2-17-15(9-14)4-7-23-17)11-19(22-18)21-6-3-13-5-8-24-12-13/h1-2,4-5,7-12H,3,6H2,(H3,20,21,22)
InChIKeyPXTROUVPTDFENL-UHFFFAOYSA-N
XLogP4.79
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine (CID 166630087) is 4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine is Nc1cc(-c2ccc3occc3c2)cc(NCCc2ccsc2)n1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine?
The InChIKey is PXTROUVPTDFENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c20-18-10-16(14-1-2-17-15(9-14)4-7-23-17)11-19(22-18)21-6-3-13-5-8-24-12-13/h1-2,4-5,7-12H,3,6H2,(H3,20,21,22).
What are the key properties of 4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine?
4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine has a molecular weight of 335.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-yl)-6-N-(2-thiophen-3-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 166630087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).