3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

C17H13F2N3O3S — CID 1028487

IUPAC3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)F)nc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(N)c12
InChIInChI=1S/C17H13F2N3O3S/c1-7-4-9(15(18)19)22-17-12(7)13(20)14(26-17)16(23)21-8-2-3-10-11(5-8)25-6-24-10/h2-5,15H,6,20H2,1H3,(H,21,23)
InChIKeyCUYGTWRDESNGJA-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.11
Rot. Bonds3

About 3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1028487) has the molecular formula C17H13F2N3O3S and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1028487
Molecular FormulaC17H13F2N3O3S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC Name3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)F)nc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(N)c12
InChIInChI=1S/C17H13F2N3O3S/c1-7-4-9(15(18)19)22-17-12(7)13(20)14(26-17)16(23)21-8-2-3-10-11(5-8)25-6-24-10/h2-5,15H,6,20H2,1H3,(H,21,23)
InChIKeyCUYGTWRDESNGJA-UHFFFAOYSA-N
XLogP4.11
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 1028487) is 3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)F)nc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(N)c12.
What is the InChIKey of 3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CUYGTWRDESNGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S/c1-7-4-9(15(18)19)22-17-12(7)13(20)14(26-17)16(23)21-8-2-3-10-11(5-8)25-6-24-10/h2-5,15H,6,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzodioxol-5-yl)-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1028487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).