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

C19H19N3O3S — CID 1093402

IUPACN-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)Nc3ccc(C(C)=O)cc3)c(N)c12
InChIInChI=1S/C19H19N3O3S/c1-10-8-13(9-25-3)15-16(20)17(26-19(15)21-10)18(24)22-14-6-4-12(5-7-14)11(2)23/h4-8H,9,20H2,1-3H3,(H,22,24)
InChIKeyZOHGHVXFLOGSSY-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.79
Rot. Bonds5

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

N-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1093402) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1093402
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)Nc3ccc(C(C)=O)cc3)c(N)c12
InChIInChI=1S/C19H19N3O3S/c1-10-8-13(9-25-3)15-16(20)17(26-19(15)21-10)18(24)22-14-6-4-12(5-7-14)11(2)23/h4-8H,9,20H2,1-3H3,(H,22,24)
InChIKeyZOHGHVXFLOGSSY-UHFFFAOYSA-N
XLogP3.79
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 1093402) is N-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is COCc1cc(C)nc2sc(C(=O)Nc3ccc(C(C)=O)cc3)c(N)c12.
What is the InChIKey of N-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZOHGHVXFLOGSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-10-8-13(9-25-3)15-16(20)17(26-19(15)21-10)18(24)22-14-6-4-12(5-7-14)11(2)23/h4-8H,9,20H2,1-3H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
N-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1093402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).