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

C18H19N3O3S — CID 1144489

IUPAC3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c(OC)c1
InChIInChI=1S/C18H19N3O3S/c1-9-7-10(2)20-18-14(9)15(19)16(25-18)17(22)21-12-6-5-11(23-3)8-13(12)24-4/h5-8H,19H2,1-4H3,(H,21,22)
InChIKeyWPGSYUVWLJHLNU-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.76
Rot. Bonds4

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

3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1144489) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1144489
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c(OC)c1
InChIInChI=1S/C18H19N3O3S/c1-9-7-10(2)20-18-14(9)15(19)16(25-18)17(22)21-12-6-5-11(23-3)8-13(12)24-4/h5-8H,19H2,1-4H3,(H,21,22)
InChIKeyWPGSYUVWLJHLNU-UHFFFAOYSA-N
XLogP3.76
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 1144489) is 3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c(OC)c1.
What is the InChIKey of 3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WPGSYUVWLJHLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-9-7-10(2)20-18-14(9)15(19)16(25-18)17(22)21-12-6-5-11(23-3)8-13(12)24-4/h5-8H,19H2,1-4H3,(H,21,22).
What are the key properties of 3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1144489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).