3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide

C16H13N6O2S+ — CID 2067861

IUPAC3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESN#Cc1cc2c(N)c(C(=O)Nc3ccccc3C(N)=O)sc2[nH+]c1N
InChIInChI=1S/C16H12N6O2S/c17-6-7-5-9-11(18)12(25-16(9)22-13(7)19)15(24)21-10-4-2-1-3-8(10)14(20)23/h1-5H,18H2,(H2,19,22)(H2,20,23)(H,21,24)/p+1
InChIKeyZPLVGPGPJFQGJS-UHFFFAOYSA-O
MW353.39 g/mol
LogP1.10
Rot. Bonds3

About 3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide

3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide (PubChem CID 2067861) has the molecular formula C16H13N6O2S+ and a molecular weight of 353.39 g/mol. Its IUPAC name is 3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
PubChem CID2067861
Molecular FormulaC16H13N6O2S+
Molecular Weight353.39 g/mol
Exact Mass353.08
IUPAC Name3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESN#Cc1cc2c(N)c(C(=O)Nc3ccccc3C(N)=O)sc2[nH+]c1N
InChIInChI=1S/C16H12N6O2S/c17-6-7-5-9-11(18)12(25-16(9)22-13(7)19)15(24)21-10-4-2-1-3-8(10)14(20)23/h1-5H,18H2,(H2,19,22)(H2,20,23)(H,21,24)/p+1
InChIKeyZPLVGPGPJFQGJS-UHFFFAOYSA-O
XLogP1.10
TPSA162.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-diamino-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 3576142
3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7236789
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
5-amino-N-(2-cyanophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515671
3,6-diamino-5-cyano-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2215175
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
2-benzamidobenzamide
CID 702115
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23007536

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide?
The IUPAC name of 3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide (CID 2067861) is 3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide.
What is the SMILES notation for 3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide?
The canonical SMILES for 3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide is N#Cc1cc2c(N)c(C(=O)Nc3ccccc3C(N)=O)sc2[nH+]c1N.
What is the InChIKey of 3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide?
The InChIKey is ZPLVGPGPJFQGJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H12N6O2S/c17-6-7-5-9-11(18)12(25-16(9)22-13(7)19)15(24)21-10-4-2-1-3-8(10)14(20)23/h1-5H,18H2,(H2,19,22)(H2,20,23)(H,21,24)/p+1.
What are the key properties of 3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide?
3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-N-(2-carbamoylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide is sourced from PubChem (CID 2067861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).