3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine

C22H18N4O — CID 141338053

IUPAC3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine
SMILESc1cncc(C(OC(c2cccnc2)c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C22H18N4O/c1-5-17(13-23-9-1)21(18-6-2-10-24-14-18)27-22(19-7-3-11-25-15-19)20-8-4-12-26-16-20/h1-16,21-22H
InChIKeyQCAKKLZAFRFKPJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.16
Rot. Bonds6

About 3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine

3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine (PubChem CID 141338053) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine
PubChem CID141338053
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine
SMILESc1cncc(C(OC(c2cccnc2)c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C22H18N4O/c1-5-17(13-23-9-1)21(18-6-2-10-24-14-18)27-22(19-7-3-11-25-15-19)20-8-4-12-26-16-20/h1-16,21-22H
InChIKeyQCAKKLZAFRFKPJ-UHFFFAOYSA-N
XLogP4.16
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-1,2-di-pyridin-3-yl-1-methoxypropane
CID 44299128
3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-pyridine
CID 10548223
1-(2-Benzhydryloxy-ethyl)-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10669551
3-{3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-propyl}-pyridine
CID 10740538
1-(2-Benzhydryloxy-ethyl)-4-((E)-3-pyridin-3-yl-allyl)-piperazine
CID 10811697
1'-Benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]
CID 102143524
1-Benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine]
CID 118705986
2-(1'-Benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-yl)acetonitrile
CID 118705985
1-Benzyl-3-(8-methyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-pyridinium
CID 2832853
2-Phenyl-4-(2-pyridin-4-ylethyl)morpholine
CID 56812062
5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381914
5-(pyridin-4-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97463836

Frequently Asked Questions

What is the IUPAC name of 3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine?
The IUPAC name of 3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine (CID 141338053) is 3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine.
What is the SMILES notation for 3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine?
The canonical SMILES for 3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine is c1cncc(C(OC(c2cccnc2)c2cccnc2)c2cccnc2)c1.
What is the InChIKey of 3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine?
The InChIKey is QCAKKLZAFRFKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-5-17(13-23-9-1)21(18-6-2-10-24-14-18)27-22(19-7-3-11-25-15-19)20-8-4-12-26-16-20/h1-16,21-22H.
What are the key properties of 3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine?
3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine has a molecular weight of 354.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine is sourced from PubChem (CID 141338053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).