3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C15H11N5OS — CID 3117016

IUPAC3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1c(N)nc2sc(C(N)=O)c(N)c2c1-c1ccccc1
InChIInChI=1S/C15H11N5OS/c16-6-8-9(7-4-2-1-3-5-7)10-11(17)12(14(19)21)22-15(10)20-13(8)18/h1-5H,17H2,(H2,18,20)(H2,19,21)
InChIKeyTYEHUZZBGBJVKD-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.10
Rot. Bonds2

About 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3117016) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID3117016
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1c(N)nc2sc(C(N)=O)c(N)c2c1-c1ccccc1
InChIInChI=1S/C15H11N5OS/c16-6-8-9(7-4-2-1-3-5-7)10-11(17)12(14(19)21)22-15(10)20-13(8)18/h1-5H,17H2,(H2,18,20)(H2,19,21)
InChIKeyTYEHUZZBGBJVKD-UHFFFAOYSA-N
XLogP2.10
TPSA131.81 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 ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-diamino-2-benzoyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 1070240
3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 11220276
3,6-diamino-2-(azepane-1-carbonyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 23744146
3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 11312976
3,6-diamino-2-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 23887480
3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830075
3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19059793
3,6-diamino-5-cyano-4-(1-methylindol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 59486193
4-(3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carbonyl)-3-phenyloxadiazol-3-ium-5-olate
CID 53296505
ethyl 3,6-diamino-5-cyano-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 23775054
4-(3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carbonyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 25034754
3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile
CID 23802489

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 3117016) is 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide is N#Cc1c(N)nc2sc(C(N)=O)c(N)c2c1-c1ccccc1.
What is the InChIKey of 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is TYEHUZZBGBJVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c16-6-8-9(7-4-2-1-3-5-7)10-11(17)12(14(19)21)22-15(10)20-13(8)18/h1-5H,17H2,(H2,18,20)(H2,19,21).
What are the key properties of 3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 2.10, 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-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3117016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).