5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide

C16H18ClN3O3S — CID 122387453

IUPAC5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCC(=O)Nc1c(C(=O)NC2CC2)sc2nc(OC)c(Cl)c(C)c12
InChIInChI=1S/C16H18ClN3O3S/c1-4-9(21)19-12-10-7(2)11(17)15(23-3)20-16(10)24-13(12)14(22)18-8-5-6-8/h8H,4-6H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyMTAMNTWVKLZMOZ-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.51
Rot. Bonds5

About 5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide

5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 122387453) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID122387453
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCC(=O)Nc1c(C(=O)NC2CC2)sc2nc(OC)c(Cl)c(C)c12
InChIInChI=1S/C16H18ClN3O3S/c1-4-9(21)19-12-10-7(2)11(17)15(23-3)20-16(10)24-13(12)14(22)18-8-5-6-8/h8H,4-6H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyMTAMNTWVKLZMOZ-UHFFFAOYSA-N
XLogP3.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide (CID 122387453) is 5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide is CCC(=O)Nc1c(C(=O)NC2CC2)sc2nc(OC)c(Cl)c(C)c12.
What is the InChIKey of 5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MTAMNTWVKLZMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-4-9(21)19-12-10-7(2)11(17)15(23-3)20-16(10)24-13(12)14(22)18-8-5-6-8/h8H,4-6H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide?
5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-6-methoxy-4-methyl-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 122387453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).