3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide

C18H24N4O4S — CID 45142479

IUPAC3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC3COC3)c(N)c12
InChIInChI=1S/C18H24N4O4S/c1-11-8-13(26-7-4-22-2-5-24-6-3-22)21-18-14(11)15(19)16(27-18)17(23)20-12-9-25-10-12/h8,12H,2-7,9-10,19H2,1H3,(H,20,23)
InChIKeyXEPUIVFMKSWRDF-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.03
Rot. Bonds6

About 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 45142479) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID45142479
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC3COC3)c(N)c12
InChIInChI=1S/C18H24N4O4S/c1-11-8-13(26-7-4-22-2-5-24-6-3-22)21-18-14(11)15(19)16(27-18)17(23)20-12-9-25-10-12/h8,12H,2-7,9-10,19H2,1H3,(H,20,23)
InChIKeyXEPUIVFMKSWRDF-UHFFFAOYSA-N
XLogP1.03
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 45142479) is 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC3COC3)c(N)c12.
What is the InChIKey of 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XEPUIVFMKSWRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-11-8-13(26-7-4-22-2-5-24-6-3-22)21-18-14(11)15(19)16(27-18)17(23)20-12-9-25-10-12/h8,12H,2-7,9-10,19H2,1H3,(H,20,23).
What are the key properties of 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)-N-(oxetan-3-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 45142479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).