3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine

C18H18N2O — CID 175608988

IUPAC3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine
SMILESCN1C=CC=C(c2cccnc2OCc2ccccc2)C1
InChIInChI=1S/C18H18N2O/c1-20-12-6-9-16(13-20)17-10-5-11-19-18(17)21-14-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3
InChIKeyLMGNQVUYPRFDMS-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.50
Rot. Bonds4

About 3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine

3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine (PubChem CID 175608988) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine.

Molecular Properties

Compound Name3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine
PubChem CID175608988
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine
SMILESCN1C=CC=C(c2cccnc2OCc2ccccc2)C1
InChIInChI=1S/C18H18N2O/c1-20-12-6-9-16(13-20)17-10-5-11-19-18(17)21-14-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3
InChIKeyLMGNQVUYPRFDMS-UHFFFAOYSA-N
XLogP3.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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CID 84499
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine?
The IUPAC name of 3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine (CID 175608988) is 3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine.
What is the SMILES notation for 3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine?
The canonical SMILES for 3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine is CN1C=CC=C(c2cccnc2OCc2ccccc2)C1.
What is the InChIKey of 3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine?
The InChIKey is LMGNQVUYPRFDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-20-12-6-9-16(13-20)17-10-5-11-19-18(17)21-14-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3.
What are the key properties of 3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine?
3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine has a molecular weight of 278.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2H-pyridin-3-yl)-2-phenylmethoxypyridine is sourced from PubChem (CID 175608988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).