6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C16H19N3OS — CID 653187

IUPAC6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C16H19N3OS/c20-16(18-12-14-5-4-10-21-14)13-6-7-15(17-11-13)19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,18,20)
InChIKeyLIUPHHQGXMTTEM-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.06
Rot. Bonds4

About 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 653187) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID653187
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C16H19N3OS/c20-16(18-12-14-5-4-10-21-14)13-6-7-15(17-11-13)19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,18,20)
InChIKeyLIUPHHQGXMTTEM-UHFFFAOYSA-N
XLogP3.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 653187) is 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LIUPHHQGXMTTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(18-12-14-5-4-10-21-14)13-6-7-15(17-11-13)19-8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,18,20).
What are the key properties of 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 653187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).