3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide

C15H10ClFN5OS+ — CID 7236789

IUPAC3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESN#Cc1cc2c(N)c(C(=O)Nc3ccc(F)cc3Cl)sc2[nH+]c1N
InChIInChI=1S/C15H9ClFN5OS/c16-9-4-7(17)1-2-10(9)21-14(23)12-11(19)8-3-6(5-18)13(20)22-15(8)24-12/h1-4H,19H2,(H2,20,22)(H,21,23)/p+1
InChIKeyUCDHLABCLAZYJL-UHFFFAOYSA-O
MW362.80 g/mol
LogP2.80
Rot. Bonds2

About 3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide

3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide (PubChem CID 7236789) has the molecular formula C15H10ClFN5OS+ and a molecular weight of 362.80 g/mol. Its IUPAC name is 3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
PubChem CID7236789
Molecular FormulaC15H10ClFN5OS+
Molecular Weight362.80 g/mol
Exact Mass362.03
IUPAC Name3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
SMILESN#Cc1cc2c(N)c(C(=O)Nc3ccc(F)cc3Cl)sc2[nH+]c1N
InChIInChI=1S/C15H9ClFN5OS/c16-9-4-7(17)1-2-10(9)21-14(23)12-11(19)8-3-6(5-18)13(20)22-15(8)24-12/h1-4H,19H2,(H2,20,22)(H,21,23)/p+1
InChIKeyUCDHLABCLAZYJL-UHFFFAOYSA-O
XLogP2.80
TPSA119.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.80
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide with MolForge

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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-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-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23007536
3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 26364259
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 23007537
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide?
The IUPAC name of 3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide (CID 7236789) is 3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide.
What is the SMILES notation for 3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide?
The canonical SMILES for 3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide is N#Cc1cc2c(N)c(C(=O)Nc3ccc(F)cc3Cl)sc2[nH+]c1N.
What is the InChIKey of 3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide?
The InChIKey is UCDHLABCLAZYJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H9ClFN5OS/c16-9-4-7(17)1-2-10(9)21-14(23)12-11(19)8-3-6(5-18)13(20)22-15(8)24-12/h1-4H,19H2,(H2,20,22)(H,21,23)/p+1.
What are the key properties of 3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide?
3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide has a molecular weight of 362.80 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide is sourced from PubChem (CID 7236789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).