2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine

C19H20N2O2 — CID 135394378

IUPAC2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine
SMILESCOc1ccc(COc2ccc(-n3c(C)ccc3C)nc2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-4-5-15(2)21(14)19-11-10-18(12-20-19)23-13-16-6-8-17(22-3)9-7-16/h4-12H,13H2,1-3H3
InChIKeyXROVLBKNFDQMQJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.08
Rot. Bonds5

About 2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine

2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine (PubChem CID 135394378) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine
PubChem CID135394378
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine
SMILESCOc1ccc(COc2ccc(-n3c(C)ccc3C)nc2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-4-5-15(2)21(14)19-11-10-18(12-20-19)23-13-16-6-8-17(22-3)9-7-16/h4-12H,13H2,1-3H3
InChIKeyXROVLBKNFDQMQJ-UHFFFAOYSA-N
XLogP4.08
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83123591
2-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 79799613
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
CID 103937797
[2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidin-5-yl]methanol
CID 83183786
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
CID 70990513
5-(chloromethyl)-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
CID 83183815
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylaniline
CID 170076319
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
2-[(4-methoxyphenyl)methoxy]azete
CID 70424831

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine (CID 135394378) is 2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine is COc1ccc(COc2ccc(-n3c(C)ccc3C)nc2)cc1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine?
The InChIKey is XROVLBKNFDQMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-4-5-15(2)21(14)19-11-10-18(12-20-19)23-13-16-6-8-17(22-3)9-7-16/h4-12H,13H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine?
2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine has a molecular weight of 308.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine is sourced from PubChem (CID 135394378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).