7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C13H20N2OS — CID 53165466

IUPAC7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)N(CC)CCC2
InChIInChI=1S/C13H20N2OS/c1-3-7-14-12(16)11-9-10-6-5-8-15(4-2)13(10)17-11/h9H,3-8H2,1-2H3,(H,14,16)
InChIKeyUQZOTLMGAOTDMX-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.66
Rot. Bonds4

About 7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 53165466) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID53165466
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)N(CC)CCC2
InChIInChI=1S/C13H20N2OS/c1-3-7-14-12(16)11-9-10-6-5-8-15(4-2)13(10)17-11/h9H,3-8H2,1-2H3,(H,14,16)
InChIKeyUQZOTLMGAOTDMX-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 53165466) is 7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is CCCNC(=O)c1cc2c(s1)N(CC)CCC2.
What is the InChIKey of 7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UQZOTLMGAOTDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-7-14-12(16)11-9-10-6-5-8-15(4-2)13(10)17-11/h9H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-propyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53165466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).