3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide

C14H12N6OS — CID 11312976

IUPAC3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1cccc1-c1c(C#N)c(N)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C14H12N6OS/c1-20-4-2-3-7(20)8-6(5-15)12(17)19-14-9(8)10(16)11(22-14)13(18)21/h2-4H,16H2,1H3,(H2,17,19)(H2,18,21)
InChIKeyWJMOLMLHFVZXFH-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.44
Rot. Bonds2

About 3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11312976) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID11312976
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1cccc1-c1c(C#N)c(N)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C14H12N6OS/c1-20-4-2-3-7(20)8-6(5-15)12(17)19-14-9(8)10(16)11(22-14)13(18)21/h2-4H,16H2,1H3,(H2,17,19)(H2,18,21)
InChIKeyWJMOLMLHFVZXFH-UHFFFAOYSA-N
XLogP1.44
TPSA136.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 11312976) is 3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide is Cn1cccc1-c1c(C#N)c(N)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WJMOLMLHFVZXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c1-20-4-2-3-7(20)8-6(5-15)12(17)19-14-9(8)10(16)11(22-14)13(18)21/h2-4H,16H2,1H3,(H2,17,19)(H2,18,21).
What are the key properties of 3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11312976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).