3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide

C15H11N5OS — CID 687282

IUPAC3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1cc2c(N)c(C(=O)Nc3ccccc3)sc2nc1N
InChIInChI=1S/C15H11N5OS/c16-7-8-6-10-11(17)12(22-15(10)20-13(8)18)14(21)19-9-4-2-1-3-5-9/h1-6H,17H2,(H2,18,20)(H,19,21)
InChIKeyCZPSUFVNUFYBNB-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.58
Rot. Bonds2

About 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 687282) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID687282
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1cc2c(N)c(C(=O)Nc3ccccc3)sc2nc1N
InChIInChI=1S/C15H11N5OS/c16-7-8-6-10-11(17)12(22-15(10)20-13(8)18)14(21)19-9-4-2-1-3-5-9/h1-6H,17H2,(H2,18,20)(H,19,21)
InChIKeyCZPSUFVNUFYBNB-UHFFFAOYSA-N
XLogP2.58
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 687282) is 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide is N#Cc1cc2c(N)c(C(=O)Nc3ccccc3)sc2nc1N.
What is the InChIKey of 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CZPSUFVNUFYBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c16-7-8-6-10-11(17)12(22-15(10)20-13(8)18)14(21)19-9-4-2-1-3-5-9/h1-6H,17H2,(H2,18,20)(H,19,21).
What are the key properties of 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 687282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).