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

C17H16FN3O2S — CID 926746

IUPAC3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)Nc3ccccc3F)c(N)c12
InChIInChI=1S/C17H16FN3O2S/c1-9-7-10(8-23-2)13-14(19)15(24-17(13)20-9)16(22)21-12-6-4-3-5-11(12)18/h3-7H,8,19H2,1-2H3,(H,21,22)
InChIKeyUGPJHGJGPIZKFA-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.72
Rot. Bonds4

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

3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 926746) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID926746
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)Nc3ccccc3F)c(N)c12
InChIInChI=1S/C17H16FN3O2S/c1-9-7-10(8-23-2)13-14(19)15(24-17(13)20-9)16(22)21-12-6-4-3-5-11(12)18/h3-7H,8,19H2,1-2H3,(H,21,22)
InChIKeyUGPJHGJGPIZKFA-UHFFFAOYSA-N
XLogP3.72
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 926746) is 3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is COCc1cc(C)nc2sc(C(=O)Nc3ccccc3F)c(N)c12.
What is the InChIKey of 3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UGPJHGJGPIZKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-9-7-10(8-23-2)13-14(19)15(24-17(13)20-9)16(22)21-12-6-4-3-5-11(12)18/h3-7H,8,19H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 926746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).