3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide

C15H12N5OS+ — CID 3576142

IUPAC3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESN#Cc1cc2c(N)c(C(=O)Nc3ccccc3)sc2[nH+]c1N
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)/p+1
InChIKeyCZPSUFVNUFYBNB-UHFFFAOYSA-O
MW310.36 g/mol
LogP2.00
Rot. Bonds2

About 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide

3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide (PubChem CID 3576142) has the molecular formula C15H12N5OS+ and a molecular weight of 310.36 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide
PubChem CID3576142
Molecular FormulaC15H12N5OS+
Molecular Weight310.36 g/mol
Exact Mass310.08
IUPAC Name3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESN#Cc1cc2c(N)c(C(=O)Nc3ccccc3)sc2[nH+]c1N
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)/p+1
InChIKeyCZPSUFVNUFYBNB-UHFFFAOYSA-O
XLogP2.00
TPSA119.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 2067861
3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile
CID 6937260
3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7236789
3,6-diamino-N-[(2-chlorophenyl)methyl]-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7395729
N-(1-adamantyl)-3,6-diamino-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7211606
3,6-diamino-2-(4-bromobenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile
CID 6962518
3,6-diamino-5-cyano-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7353136
3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 939705
3,6-diamino-5-cyano-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2215175
6-amino-N-(4-methylphenyl)-4-thia-2-azoniatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
CID 4749843
3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 3554887
5-amino-N-(2-cyanophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515671

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide (CID 3576142) is 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide is N#Cc1cc2c(N)c(C(=O)Nc3ccccc3)sc2[nH+]c1N.
What is the InChIKey of 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
The InChIKey is CZPSUFVNUFYBNB-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide?
3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide is sourced from PubChem (CID 3576142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).