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

C20H25N3O — CID 647867

IUPAC6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)NCCc3ccccc3)cn2)C1
InChIInChI=1S/C20H25N3O/c1-16-6-5-13-23(15-16)19-10-9-18(14-22-19)20(24)21-12-11-17-7-3-2-4-8-17/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3,(H,21,24)
InChIKeyPZXUNOBSZVXIMI-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.29
Rot. Bonds5

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

6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 647867) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID647867
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)NCCc3ccccc3)cn2)C1
InChIInChI=1S/C20H25N3O/c1-16-6-5-13-23(15-16)19-10-9-18(14-22-19)20(24)21-12-11-17-7-3-2-4-8-17/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3,(H,21,24)
InChIKeyPZXUNOBSZVXIMI-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 647867) is 6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide is CC1CCCN(c2ccc(C(=O)NCCc3ccccc3)cn2)C1.
What is the InChIKey of 6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is PZXUNOBSZVXIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-6-5-13-23(15-16)19-10-9-18(14-22-19)20(24)21-12-11-17-7-3-2-4-8-17/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3,(H,21,24).
What are the key properties of 6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide?
6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 647867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).