3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C19H19N5OS — CID 23830075

IUPAC3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1sc2nc(N)c(C#N)c(-c3ccccc3)c2c1N
InChIInChI=1S/C19H19N5OS/c1-3-10(2)23-18(25)16-15(21)14-13(11-7-5-4-6-8-11)12(9-20)17(22)24-19(14)26-16/h4-8,10H,3,21H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyJYTAWEBTOIMUHE-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.53
Rot. Bonds4

About 3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23830075) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23830075
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1sc2nc(N)c(C#N)c(-c3ccccc3)c2c1N
InChIInChI=1S/C19H19N5OS/c1-3-10(2)23-18(25)16-15(21)14-13(11-7-5-4-6-8-11)12(9-20)17(22)24-19(14)26-16/h4-8,10H,3,21H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyJYTAWEBTOIMUHE-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 23830075) is 3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide is CCC(C)NC(=O)c1sc2nc(N)c(C#N)c(-c3ccccc3)c2c1N.
What is the InChIKey of 3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JYTAWEBTOIMUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-3-10(2)23-18(25)16-15(21)14-13(11-7-5-4-6-8-11)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-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-N-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.53, 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-butan-2-yl-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23830075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).