N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C17H20N4OS — CID 53499734

IUPACN-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)N1CCc2sccc2C1
InChIInChI=1S/C17H20N4OS/c22-17(21-9-5-15-13(12-21)6-10-23-15)19-14-3-4-16(18-11-14)20-7-1-2-8-20/h3-4,6,10-11H,1-2,5,7-9,12H2,(H,19,22)
InChIKeyOEQMWZHQXUPVBT-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.33
Rot. Bonds2

About N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 53499734) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID53499734
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)N1CCc2sccc2C1
InChIInChI=1S/C17H20N4OS/c22-17(21-9-5-15-13(12-21)6-10-23-15)19-14-3-4-16(18-11-14)20-7-1-2-8-20/h3-4,6,10-11H,1-2,5,7-9,12H2,(H,19,22)
InChIKeyOEQMWZHQXUPVBT-UHFFFAOYSA-N
XLogP3.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 53499734) is N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1ccc(N2CCCC2)nc1)N1CCc2sccc2C1.
What is the InChIKey of N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is OEQMWZHQXUPVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-17(21-9-5-15-13(12-21)6-10-23-15)19-14-3-4-16(18-11-14)20-7-1-2-8-20/h3-4,6,10-11H,1-2,5,7-9,12H2,(H,19,22).
What are the key properties of N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 53499734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).