N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C19H19N3O2S — CID 1078530

IUPACN-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1
InChIInChI=1S/C19H19N3O2S/c1-9-10(2)15-16(20)17(25-19(15)21-11(9)3)18(24)22-14-7-5-13(6-8-14)12(4)23/h5-8H,20H2,1-4H3,(H,22,24)
InChIKeyBFKZBQABEQZGGG-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.26
Rot. Bonds3

About N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1078530) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1078530
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1
InChIInChI=1S/C19H19N3O2S/c1-9-10(2)15-16(20)17(25-19(15)21-11(9)3)18(24)22-14-7-5-13(6-8-14)12(4)23/h5-8H,20H2,1-4H3,(H,22,24)
InChIKeyBFKZBQABEQZGGG-UHFFFAOYSA-N
XLogP4.26
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 1078530) is N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BFKZBQABEQZGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-9-10(2)15-16(20)17(25-19(15)21-11(9)3)18(24)22-14-7-5-13(6-8-14)12(4)23/h5-8H,20H2,1-4H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1078530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).