3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine

C25H20N2 — CID 15678642

IUPAC3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine
SMILESC=C1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C25H20N2/c1-18-22-10-2-8-21-9-3-11-23(24(21)22)25(18,14-19-6-4-12-26-16-19)15-20-7-5-13-27-17-20/h2-13,16-17H,1,14-15H2
InChIKeyXRPCULQLLUOSKO-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.38
Rot. Bonds4

About 3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine

3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine (PubChem CID 15678642) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine
PubChem CID15678642
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine
SMILESC=C1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C25H20N2/c1-18-22-10-2-8-21-9-3-11-23(24(21)22)25(18,14-19-6-4-12-26-16-19)15-20-7-5-13-27-17-20/h2-13,16-17H,1,14-15H2
InChIKeyXRPCULQLLUOSKO-UHFFFAOYSA-N
XLogP5.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine?
The IUPAC name of 3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine (CID 15678642) is 3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine is C=C1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1.
What is the InChIKey of 3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine?
The InChIKey is XRPCULQLLUOSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-18-22-10-2-8-21-9-3-11-23(24(21)22)25(18,14-19-6-4-12-26-16-19)15-20-7-5-13-27-17-20/h2-13,16-17H,1,14-15H2.
What are the key properties of 3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine?
3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine has a molecular weight of 348.45 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methylidene-1-(pyridin-3-ylmethyl)acenaphthylen-1-yl]methyl]pyridine is sourced from PubChem (CID 15678642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).