2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine

C22H18N4O — CID 90186317

IUPAC2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine
SMILESCOCc1ncc(-c2ccccn2)c(-c2ccccn2)c1-c1ccccn1
InChIInChI=1S/C22H18N4O/c1-27-15-20-22(19-10-4-7-13-25-19)21(18-9-3-6-12-24-18)16(14-26-20)17-8-2-5-11-23-17/h2-14H,15H2,1H3
InChIKeyTUMYESFWDJNUIW-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.41
Rot. Bonds5

About 2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine

2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine (PubChem CID 90186317) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine.

Molecular Properties

Compound Name2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine
PubChem CID90186317
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine
SMILESCOCc1ncc(-c2ccccn2)c(-c2ccccn2)c1-c1ccccn1
InChIInChI=1S/C22H18N4O/c1-27-15-20-22(19-10-4-7-13-25-19)21(18-9-3-6-12-24-18)16(14-26-20)17-8-2-5-11-23-17/h2-14H,15H2,1H3
InChIKeyTUMYESFWDJNUIW-UHFFFAOYSA-N
XLogP4.41
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine?
The IUPAC name of 2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine (CID 90186317) is 2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine.
What is the SMILES notation for 2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine?
The canonical SMILES for 2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine is COCc1ncc(-c2ccccn2)c(-c2ccccn2)c1-c1ccccn1.
What is the InChIKey of 2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine?
The InChIKey is TUMYESFWDJNUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-27-15-20-22(19-10-4-7-13-25-19)21(18-9-3-6-12-24-18)16(14-26-20)17-8-2-5-11-23-17/h2-14H,15H2,1H3.
What are the key properties of 2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine?
2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine has a molecular weight of 354.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3,4,5-tripyridin-2-ylpyridine is sourced from PubChem (CID 90186317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).