(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

C21H21N3O3 — CID 90636127

IUPAC(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C21H21N3O3/c1-2-26-18-8-7-15-5-3-4-6-17(15)20(18)21(25)24-12-9-16(14-24)27-19-13-22-10-11-23-19/h3-8,10-11,13,16H,2,9,12,14H2,1H3
InChIKeyUIKSKIUEXNHGHF-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.32
Rot. Bonds5

About (2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 90636127) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID90636127
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C21H21N3O3/c1-2-26-18-8-7-15-5-3-4-6-17(15)20(18)21(25)24-12-9-16(14-24)27-19-13-22-10-11-23-19/h3-8,10-11,13,16H,2,9,12,14H2,1H3
InChIKeyUIKSKIUEXNHGHF-UHFFFAOYSA-N
XLogP3.32
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 90639571
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584648
1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626691
ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
CID 90636072
(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100613636
(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753127
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 91626626

Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 90636127) is (2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is CCOc1ccc2ccccc2c1C(=O)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is UIKSKIUEXNHGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-26-18-8-7-15-5-3-4-6-17(15)20(18)21(25)24-12-9-16(14-24)27-19-13-22-10-11-23-19/h3-8,10-11,13,16H,2,9,12,14H2,1H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 363.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90636127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).