3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide

C19H19N5OS — CID 3554887

IUPAC3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1
InChIInChI=1S/C19H19N5OS/c1-3-10(2)11-4-6-13(7-5-11)23-18(25)16-15(21)14-8-12(9-20)17(22)24-19(14)26-16/h4-8,10H,3,21H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyCFESOOPENHTZDM-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.10
Rot. Bonds4

About 3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3554887) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
PubChem CID3554887
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1
InChIInChI=1S/C19H19N5OS/c1-3-10(2)11-4-6-13(7-5-11)23-18(25)16-15(21)14-8-12(9-20)17(22)24-19(14)26-16/h4-8,10H,3,21H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyCFESOOPENHTZDM-UHFFFAOYSA-N
XLogP4.10
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide (CID 3554887) is 3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide is CCC(C)c1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1.
What is the InChIKey of 3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CFESOOPENHTZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-3-10(2)11-4-6-13(7-5-11)23-18(25)16-15(21)14-8-12(9-20)17(22)24-19(14)26-16/h4-8,10H,3,21H2,1-2H3,(H2,22,24)(H,23,25).
What are the key properties of 3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3554887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).