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

C14H20N2O2S — CID 53158844

IUPAC5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)CCN(C(=O)CC)C2
InChIInChI=1S/C14H20N2O2S/c1-3-6-15-14(18)12-8-10-9-16(13(17)4-2)7-5-11(10)19-12/h8H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyGVWNUIRIKJBUCP-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.18
Rot. Bonds4

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

5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53158844) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53158844
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)CCN(C(=O)CC)C2
InChIInChI=1S/C14H20N2O2S/c1-3-6-15-14(18)12-8-10-9-16(13(17)4-2)7-5-11(10)19-12/h8H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyGVWNUIRIKJBUCP-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53158844) is 5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CCCNC(=O)c1cc2c(s1)CCN(C(=O)CC)C2.
What is the InChIKey of 5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is GVWNUIRIKJBUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-6-15-14(18)12-8-10-9-16(13(17)4-2)7-5-11(10)19-12/h8H,3-7,9H2,1-2H3,(H,15,18).
What are the key properties of 5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53158844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).