3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile

C18H11N5OS2 — CID 23802489

IUPAC3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2sc(C(=O)c3ccccn3)c(N)c2c1-c1ccsc1
InChIInChI=1S/C18H11N5OS2/c19-7-10-12(9-4-6-25-8-9)13-14(20)16(26-18(13)23-17(10)21)15(24)11-3-1-2-5-22-11/h1-6,8H,20H2,(H2,21,23)
InChIKeyQWZJXELHOWWUAD-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.69
Rot. Bonds3

About 3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile

3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 23802489) has the molecular formula C18H11N5OS2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile
PubChem CID23802489
Molecular FormulaC18H11N5OS2
Molecular Weight377.45 g/mol
Exact Mass377.04
IUPAC Name3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2sc(C(=O)c3ccccn3)c(N)c2c1-c1ccsc1
InChIInChI=1S/C18H11N5OS2/c19-7-10-12(9-4-6-25-8-9)13-14(20)16(26-18(13)23-17(10)21)15(24)11-3-1-2-5-22-11/h1-6,8H,20H2,(H2,21,23)
InChIKeyQWZJXELHOWWUAD-UHFFFAOYSA-N
XLogP3.69
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile (CID 23802489) is 3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile is N#Cc1c(N)nc2sc(C(=O)c3ccccn3)c(N)c2c1-c1ccsc1.
What is the InChIKey of 3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is QWZJXELHOWWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5OS2/c19-7-10-12(9-4-6-25-8-9)13-14(20)16(26-18(13)23-17(10)21)15(24)11-3-1-2-5-22-11/h1-6,8H,20H2,(H2,21,23).
What are the key properties of 3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile?
3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 377.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 23802489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).