5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C18H17N3O3S — CID 155815142

IUPAC5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2sc3nc(C)c(C(C)=O)cc3c2N)c1
InChIInChI=1S/C18H17N3O3S/c1-9-13(10(2)22)8-14-15(19)16(25-18(14)20-9)17(23)21-11-5-4-6-12(7-11)24-3/h4-8H,19H2,1-3H3,(H,21,23)
InChIKeyCSDHQPRCNVQNAZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.65
Rot. Bonds4

About 5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155815142) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID155815142
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2sc3nc(C)c(C(C)=O)cc3c2N)c1
InChIInChI=1S/C18H17N3O3S/c1-9-13(10(2)22)8-14-15(19)16(25-18(14)20-9)17(23)21-11-5-4-6-12(7-11)24-3/h4-8H,19H2,1-3H3,(H,21,23)
InChIKeyCSDHQPRCNVQNAZ-UHFFFAOYSA-N
XLogP3.65
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 155815142) is 5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is COc1cccc(NC(=O)c2sc3nc(C)c(C(C)=O)cc3c2N)c1.
What is the InChIKey of 5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CSDHQPRCNVQNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-9-13(10(2)22)8-14-15(19)16(25-18(14)20-9)17(23)21-11-5-4-6-12(7-11)24-3/h4-8H,19H2,1-3H3,(H,21,23).
What are the key properties of 5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-amino-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155815142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).