5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine

C20H19NO3 — CID 163717013

IUPAC5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine
SMILESCOc1ccc(C2C=CC(c3ccc4c(c3)OCO4)=CN2C)cc1
InChIInChI=1S/C20H19NO3/c1-21-12-16(15-6-10-19-20(11-15)24-13-23-19)5-9-18(21)14-3-7-17(22-2)8-4-14/h3-12,18H,13H2,1-2H3
InChIKeyKOFZGDVSSDSMHM-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.01
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine

5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine (PubChem CID 163717013) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine
PubChem CID163717013
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine
SMILESCOc1ccc(C2C=CC(c3ccc4c(c3)OCO4)=CN2C)cc1
InChIInChI=1S/C20H19NO3/c1-21-12-16(15-6-10-19-20(11-15)24-13-23-19)5-9-18(21)14-3-7-17(22-2)8-4-14/h3-12,18H,13H2,1-2H3
InChIKeyKOFZGDVSSDSMHM-UHFFFAOYSA-N
XLogP4.01
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 57413607
5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 1096522
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 15859200
(NZ)-N-[[(1S,2S)-2-(1,3-benzodioxol-5-yl)cyclopropyl]-(4-methoxyphenyl)methylidene]hydroxylamine
CID 40542779
5-[[4-(1,3-benzodioxol-5-ylmethyl)-6-(4-methoxyphenyl)-1,3,5-trioxan-2-yl]methyl]-1,3-benzodioxole
CID 20709986
4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-(4-methoxyphenoxy)azetidin-2-one
CID 4916209
2-(1,3-benzodioxol-5-yl)-N-(3,5-dimethoxyphenyl)chromen-4-imine
CID 1414369
(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-phenoxyethyl)pyrrolidine
CID 56996279
1-[(3S)-3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 93227291
(2R,3S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 163024349
4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine
CID 116903746
1-(2-aminoethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 22322850

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine (CID 163717013) is 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine is COc1ccc(C2C=CC(c3ccc4c(c3)OCO4)=CN2C)cc1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine?
The InChIKey is KOFZGDVSSDSMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-21-12-16(15-6-10-19-20(11-15)24-13-23-19)5-9-18(21)14-3-7-17(22-2)8-4-14/h3-12,18H,13H2,1-2H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine?
5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine has a molecular weight of 321.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine is sourced from PubChem (CID 163717013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).