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

C18H19N3O3S — CID 1018148

IUPAC3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)Nc3ccc(OC)cc3)c(N)c12
InChIInChI=1S/C18H19N3O3S/c1-10-8-11(9-23-2)14-15(19)16(25-18(14)20-10)17(22)21-12-4-6-13(24-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,21,22)
InChIKeyLWWAMJZNCTZXPY-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.59
Rot. Bonds5

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

3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1018148) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1018148
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)Nc3ccc(OC)cc3)c(N)c12
InChIInChI=1S/C18H19N3O3S/c1-10-8-11(9-23-2)14-15(19)16(25-18(14)20-10)17(22)21-12-4-6-13(24-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,21,22)
InChIKeyLWWAMJZNCTZXPY-UHFFFAOYSA-N
XLogP3.59
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 1018148) is 3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is COCc1cc(C)nc2sc(C(=O)Nc3ccc(OC)cc3)c(N)c12.
What is the InChIKey of 3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LWWAMJZNCTZXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-10-8-11(9-23-2)14-15(19)16(25-18(14)20-10)17(22)21-12-4-6-13(24-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,21,22).
What are the key properties of 3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1018148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).