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

C17H21N3OS — CID 646464

IUPAC6-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)NCc3cccs3)cn2)C1
InChIInChI=1S/C17H21N3OS/c1-13-4-2-8-20(12-13)16-7-6-14(10-18-16)17(21)19-11-15-5-3-9-22-15/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,19,21)
InChIKeyHOUKSAOSTCVFHF-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.31
Rot. Bonds4

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

6-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 646464) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 6-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID646464
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name6-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)NCc3cccs3)cn2)C1
InChIInChI=1S/C17H21N3OS/c1-13-4-2-8-20(12-13)16-7-6-14(10-18-16)17(21)19-11-15-5-3-9-22-15/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,19,21)
InChIKeyHOUKSAOSTCVFHF-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-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 646464) is 6-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is CC1CCCN(c2ccc(C(=O)NCc3cccs3)cn2)C1.
What is the InChIKey of 6-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HOUKSAOSTCVFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-4-2-8-20(12-13)16-7-6-14(10-18-16)17(21)19-11-15-5-3-9-22-15/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,19,21).
What are the key properties of 6-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
6-(3-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-(3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 646464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).