5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine

C26H30N2 — CID 70379069

IUPAC5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine
SMILESCCc1cnc(C=Cc2cccc3cccc(C)c23)cc1N1CCC(C)CC1
InChIInChI=1S/C26H30N2/c1-4-21-18-27-24(17-25(21)28-15-13-19(2)14-16-28)12-11-23-10-6-9-22-8-5-7-20(3)26(22)23/h5-12,17-19H,4,13-16H2,1-3H3
InChIKeyGRHRBQZYHZTBSS-UHFFFAOYSA-N
MW370.54 g/mol
LogP6.51
Rot. Bonds4

About 5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine

5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine (PubChem CID 70379069) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine
PubChem CID70379069
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Name5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine
SMILESCCc1cnc(C=Cc2cccc3cccc(C)c23)cc1N1CCC(C)CC1
InChIInChI=1S/C26H30N2/c1-4-21-18-27-24(17-25(21)28-15-13-19(2)14-16-28)12-11-23-10-6-9-22-8-5-7-20(3)26(22)23/h5-12,17-19H,4,13-16H2,1-3H3
InChIKeyGRHRBQZYHZTBSS-UHFFFAOYSA-N
XLogP6.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine?
The IUPAC name of 5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine (CID 70379069) is 5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine is CCc1cnc(C=Cc2cccc3cccc(C)c23)cc1N1CCC(C)CC1.
What is the InChIKey of 5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine?
The InChIKey is GRHRBQZYHZTBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2/c1-4-21-18-27-24(17-25(21)28-15-13-19(2)14-16-28)12-11-23-10-6-9-22-8-5-7-20(3)26(22)23/h5-12,17-19H,4,13-16H2,1-3H3.
What are the key properties of 5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine?
5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine has a molecular weight of 370.54 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-(8-methylnaphthalen-1-yl)ethenyl]-4-(4-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 70379069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).