6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile

C19H21N3O2 — CID 56722283

IUPAC6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile
SMILESCCOc1cc(CN2CCCC2)ccc1Oc1cccc(C#N)n1
InChIInChI=1S/C19H21N3O2/c1-2-23-18-12-15(14-22-10-3-4-11-22)8-9-17(18)24-19-7-5-6-16(13-20)21-19/h5-9,12H,2-4,10-11,14H2,1H3
InChIKeyOPWMUYQBHBEMDO-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.74
Rot. Bonds6

About 6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile

6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile (PubChem CID 56722283) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile
PubChem CID56722283
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile
SMILESCCOc1cc(CN2CCCC2)ccc1Oc1cccc(C#N)n1
InChIInChI=1S/C19H21N3O2/c1-2-23-18-12-15(14-22-10-3-4-11-22)8-9-17(18)24-19-7-5-6-16(13-20)21-19/h5-9,12H,2-4,10-11,14H2,1H3
InChIKeyOPWMUYQBHBEMDO-UHFFFAOYSA-N
XLogP3.74
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

RG 13022
CID 5468216
6-[(3-Cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-2-methylpyridine-3-carbonitrile
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4-(Methoxymethyl)-6-methyl-2-phenoxypyridine-3-carbonitrile
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6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
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3-(3,4-Dimethoxyphenyl)-2-(pyridin-3-yl)acrylonitrile
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2-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-7-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonane
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6-[4-(Hexyloxy)phenyl]pyridine-3-carbonitrile
CID 3129237
4-(1,3-Benzodioxol-5-yl)-2-methoxy-6-phenylnicotinonitrile
CID 2807444
5-(2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)pyrazine-2,3-dicarbonitrile
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US11559538, Example 220
CID 146906713
US11559538, Example 230
CID 148717661
US11559538, Example 135
CID 149840336

Frequently Asked Questions

What is the IUPAC name of 6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile (CID 56722283) is 6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile is CCOc1cc(CN2CCCC2)ccc1Oc1cccc(C#N)n1.
What is the InChIKey of 6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile?
The InChIKey is OPWMUYQBHBEMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-23-18-12-15(14-22-10-3-4-11-22)8-9-17(18)24-19-7-5-6-16(13-20)21-19/h5-9,12H,2-4,10-11,14H2,1H3.
What are the key properties of 6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile?
6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 56722283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).