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

C25H20N2 — CID 15678641

IUPAC2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine
SMILESC=C1c2cccc3cccc(c23)C1(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C25H20N2/c1-18-22-12-6-8-19-9-7-13-23(24(19)22)25(18,16-20-10-2-4-14-26-20)17-21-11-3-5-15-27-21/h2-15H,1,16-17H2
InChIKeySPHOVLDKBSLFFX-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.38
Rot. Bonds4

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

2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine (PubChem CID 15678641) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine
PubChem CID15678641
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine
SMILESC=C1c2cccc3cccc(c23)C1(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C25H20N2/c1-18-22-12-6-8-19-9-7-13-23(24(19)22)25(18,16-20-10-2-4-14-26-20)17-21-11-3-5-15-27-21/h2-15H,1,16-17H2
InChIKeySPHOVLDKBSLFFX-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 2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine?
The IUPAC name of 2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine (CID 15678641) is 2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine is C=C1c2cccc3cccc(c23)C1(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine?
The InChIKey is SPHOVLDKBSLFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-18-22-12-6-8-19-9-7-13-23(24(19)22)25(18,16-20-10-2-4-14-26-20)17-21-11-3-5-15-27-21/h2-15H,1,16-17H2.
What are the key properties of 2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine?
2-[[2-methylidene-1-(pyridin-2-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 2-[[2-methylidene-1-(pyridin-2-ylmethyl)acenaphthylen-1-yl]methyl]pyridine is sourced from PubChem (CID 15678641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).