3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile

C17H15N5OS — CID 23744187

IUPAC3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESCC(C)c1c(C#N)c(N)nc2sc(C(=O)c3ccccn3)c(N)c12
InChIInChI=1S/C17H15N5OS/c1-8(2)11-9(7-18)16(20)22-17-12(11)13(19)15(24-17)14(23)10-5-3-4-6-21-10/h3-6,8H,19H2,1-2H3,(H2,20,22)
InChIKeyZTFAIALBDUHBEN-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.08
Rot. Bonds3

About 3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile

3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 23744187) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID23744187
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESCC(C)c1c(C#N)c(N)nc2sc(C(=O)c3ccccn3)c(N)c12
InChIInChI=1S/C17H15N5OS/c1-8(2)11-9(7-18)16(20)22-17-12(11)13(19)15(24-17)14(23)10-5-3-4-6-21-10/h3-6,8H,19H2,1-2H3,(H2,20,22)
InChIKeyZTFAIALBDUHBEN-UHFFFAOYSA-N
XLogP3.08
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile (CID 23744187) is 3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile is CC(C)c1c(C#N)c(N)nc2sc(C(=O)c3ccccn3)c(N)c12.
What is the InChIKey of 3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is ZTFAIALBDUHBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-8(2)11-9(7-18)16(20)22-17-12(11)13(19)15(24-17)14(23)10-5-3-4-6-21-10/h3-6,8H,19H2,1-2H3,(H2,20,22).
What are the key properties of 3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile?
3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 337.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-4-propan-2-yl-2-(pyridine-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 23744187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).