3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C18H17N3O2S — CID 129220605

IUPAC3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ncc(OC3CCC3)c(-c3ccccc3)c2c1N
InChIInChI=1S/C18H17N3O2S/c19-15-14-13(10-5-2-1-3-6-10)12(23-11-7-4-8-11)9-21-18(14)24-16(15)17(20)22/h1-3,5-6,9,11H,4,7-8,19H2,(H2,20,22)
InChIKeyHMOKHXGJQQILHF-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.58
Rot. Bonds4

About 3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 129220605) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID129220605
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ncc(OC3CCC3)c(-c3ccccc3)c2c1N
InChIInChI=1S/C18H17N3O2S/c19-15-14-13(10-5-2-1-3-6-10)12(23-11-7-4-8-11)9-21-18(14)24-16(15)17(20)22/h1-3,5-6,9,11H,4,7-8,19H2,(H2,20,22)
InChIKeyHMOKHXGJQQILHF-UHFFFAOYSA-N
XLogP3.58
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 129220605) is 3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2ncc(OC3CCC3)c(-c3ccccc3)c2c1N.
What is the InChIKey of 3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HMOKHXGJQQILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-15-14-13(10-5-2-1-3-6-10)12(23-11-7-4-8-11)9-21-18(14)24-16(15)17(20)22/h1-3,5-6,9,11H,4,7-8,19H2,(H2,20,22).
What are the key properties of 3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclobutyloxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 129220605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).