3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C18H19N3OS — CID 798344

IUPAC3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)sc2n1
InChIInChI=1S/C18H19N3OS/c1-9-5-6-13(8-10(9)2)21-17(22)16-15(19)14-11(3)7-12(4)20-18(14)23-16/h5-8H,19H2,1-4H3,(H,21,22)
InChIKeyZQPCHBOEODFGDI-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.36
Rot. Bonds2

About 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 798344) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID798344
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)sc2n1
InChIInChI=1S/C18H19N3OS/c1-9-5-6-13(8-10(9)2)21-17(22)16-15(19)14-11(3)7-12(4)20-18(14)23-16/h5-8H,19H2,1-4H3,(H,21,22)
InChIKeyZQPCHBOEODFGDI-UHFFFAOYSA-N
XLogP4.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 798344) is 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)sc2n1.
What is the InChIKey of 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZQPCHBOEODFGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-9-5-6-13(8-10(9)2)21-17(22)16-15(19)14-11(3)7-12(4)20-18(14)23-16/h5-8H,19H2,1-4H3,(H,21,22).
What are the key properties of 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 798344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).