3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide

C15H18ClN3O2S — CID 11551836

IUPAC3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(Cl)c(OC(C)C)nc2sc(C(=O)NC3CC3)c(N)c12
InChIInChI=1S/C15H18ClN3O2S/c1-6(2)21-14-10(16)7(3)9-11(17)12(22-15(9)19-14)13(20)18-8-4-5-8/h6,8H,4-5,17H2,1-3H3,(H,18,20)
InChIKeyLUQWFQHFQWFAII-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.52
Rot. Bonds4

About 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide

3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11551836) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
PubChem CID11551836
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(Cl)c(OC(C)C)nc2sc(C(=O)NC3CC3)c(N)c12
InChIInChI=1S/C15H18ClN3O2S/c1-6(2)21-14-10(16)7(3)9-11(17)12(22-15(9)19-14)13(20)18-8-4-5-8/h6,8H,4-5,17H2,1-3H3,(H,18,20)
InChIKeyLUQWFQHFQWFAII-UHFFFAOYSA-N
XLogP3.52
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide (CID 11551836) is 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide is Cc1c(Cl)c(OC(C)C)nc2sc(C(=O)NC3CC3)c(N)c12.
What is the InChIKey of 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LUQWFQHFQWFAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-6(2)21-14-10(16)7(3)9-11(17)12(22-15(9)19-14)13(20)18-8-4-5-8/h6,8H,4-5,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 339.85 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11551836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).