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

C17H20N2OS — CID 57325593

IUPACN-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCCC1c2ccsc2CCN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-2-6-15-14-10-12-21-16(14)9-11-19(15)17(20)18-13-7-4-3-5-8-13/h3-5,7-8,10,12,15H,2,6,9,11H2,1H3,(H,18,20)
InChIKeyPYWWUQYTGHSKNR-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.68
Rot. Bonds3

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

N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 57325593) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID57325593
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCCC1c2ccsc2CCN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-2-6-15-14-10-12-21-16(14)9-11-19(15)17(20)18-13-7-4-3-5-8-13/h3-5,7-8,10,12,15H,2,6,9,11H2,1H3,(H,18,20)
InChIKeyPYWWUQYTGHSKNR-UHFFFAOYSA-N
XLogP4.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 57325593) is N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CCCC1c2ccsc2CCN1C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is PYWWUQYTGHSKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-6-15-14-10-12-21-16(14)9-11-19(15)17(20)18-13-7-4-3-5-8-13/h3-5,7-8,10,12,15H,2,6,9,11H2,1H3,(H,18,20).
What are the key properties of N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 57325593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).