3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide

C16H21N3O2S — CID 155522878

IUPAC3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide
SMILESCCC1CCC(Oc2ccnc3sc(C(N)=O)c(N)c23)CC1
InChIInChI=1S/C16H21N3O2S/c1-2-9-3-5-10(6-4-9)21-11-7-8-19-16-12(11)13(17)14(22-16)15(18)20/h7-10H,2-6,17H2,1H3,(H2,18,20)
InChIKeyIFUFXRKTQWWMJC-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.33
Rot. Bonds4

About 3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155522878) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide
PubChem CID155522878
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide
SMILESCCC1CCC(Oc2ccnc3sc(C(N)=O)c(N)c23)CC1
InChIInChI=1S/C16H21N3O2S/c1-2-9-3-5-10(6-4-9)21-11-7-8-19-16-12(11)13(17)14(22-16)15(18)20/h7-10H,2-6,17H2,1H3,(H2,18,20)
InChIKeyIFUFXRKTQWWMJC-UHFFFAOYSA-N
XLogP3.33
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide (CID 155522878) is 3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide is CCC1CCC(Oc2ccnc3sc(C(N)=O)c(N)c23)CC1.
What is the InChIKey of 3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IFUFXRKTQWWMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-2-9-3-5-10(6-4-9)21-11-7-8-19-16-12(11)13(17)14(22-16)15(18)20/h7-10H,2-6,17H2,1H3,(H2,18,20).
What are the key properties of 3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155522878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).