3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

C16H12FN5OS — CID 23007536

IUPAC3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c(F)c1
InChIInChI=1S/C16H12FN5OS/c1-7-2-3-11(10(17)4-7)21-15(23)13-12(19)9-5-8(6-18)14(20)22-16(9)24-13/h2-5H,19H2,1H3,(H2,20,22)(H,21,23)
InChIKeyJPRZIBDYNIREAM-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.03
Rot. Bonds2

About 3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23007536) has the molecular formula C16H12FN5OS and a molecular weight of 341.37 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23007536
Molecular FormulaC16H12FN5OS
Molecular Weight341.37 g/mol
Exact Mass341.07
IUPAC Name3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c(F)c1
InChIInChI=1S/C16H12FN5OS/c1-7-2-3-11(10(17)4-7)21-15(23)13-12(19)9-5-8(6-18)14(20)22-16(9)24-13/h2-5H,19H2,1H3,(H2,20,22)(H,21,23)
InChIKeyJPRZIBDYNIREAM-UHFFFAOYSA-N
XLogP3.03
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-diamino-5-cyano-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2215175
3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 23007537
3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 939705
3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23007543
3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3154865
3,6-diamino-5-cyano-N-(4-cyanocyclohexa-1,3-dien-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 90213432
3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 3554887
3,6-diamino-2-(cyclopropanecarbonyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 3409545
3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 123161511
3,6-diamino-N-(2-chloro-4-fluorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7236789
2-amino-6-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-carboxamide
CID 62151947
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23007536) is 3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c(F)c1.
What is the InChIKey of 3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JPRZIBDYNIREAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5OS/c1-7-2-3-11(10(17)4-7)21-15(23)13-12(19)9-5-8(6-18)14(20)22-16(9)24-13/h2-5H,19H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.03, 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-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23007536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).