6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C17H21N3OS — CID 646387

IUPAC6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)NCc3cccs3)cn2)CC1
InChIInChI=1S/C17H21N3OS/c1-13-6-8-20(9-7-13)16-5-4-14(11-18-16)17(21)19-12-15-3-2-10-22-15/h2-5,10-11,13H,6-9,12H2,1H3,(H,19,21)
InChIKeyRUMCVYOBJACMKW-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.31
Rot. Bonds4

About 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 646387) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID646387
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)NCc3cccs3)cn2)CC1
InChIInChI=1S/C17H21N3OS/c1-13-6-8-20(9-7-13)16-5-4-14(11-18-16)17(21)19-12-15-3-2-10-22-15/h2-5,10-11,13H,6-9,12H2,1H3,(H,19,21)
InChIKeyRUMCVYOBJACMKW-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 646387) is 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is CC1CCN(c2ccc(C(=O)NCc3cccs3)cn2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is RUMCVYOBJACMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-6-8-20(9-7-13)16-5-4-14(11-18-16)17(21)19-12-15-3-2-10-22-15/h2-5,10-11,13H,6-9,12H2,1H3,(H,19,21).
What are the key properties of 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 646387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).