(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

C18H21N3O4 — CID 100613636

IUPAC(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CC[C@H](Oc2cncc(OC)n2)C1
InChIInChI=1S/C18H21N3O4/c1-3-24-15-7-5-4-6-14(15)18(22)21-9-8-13(12-21)25-17-11-19-10-16(20-17)23-2/h4-7,10-11,13H,3,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyYJTXJZGOBRRCFM-ZDUSSCGKSA-N
MW343.38 g/mol
LogP2.18
Rot. Bonds6

About (2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 100613636) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
PubChem CID100613636
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CC[C@H](Oc2cncc(OC)n2)C1
InChIInChI=1S/C18H21N3O4/c1-3-24-15-7-5-4-6-14(15)18(22)21-9-8-13(12-21)25-17-11-19-10-16(20-17)23-2/h4-7,10-11,13H,3,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyYJTXJZGOBRRCFM-ZDUSSCGKSA-N
XLogP2.18
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637583
(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90637338
2-(2-fluorophenoxy)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637391
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
2-benzylsulfanyl-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637393
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 90637330
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90637267
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 121022721
(5-bromo-3-pyridinyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627007
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (CID 100613636) is (2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CC[C@H](Oc2cncc(OC)n2)C1.
What is the InChIKey of (2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is YJTXJZGOBRRCFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-24-15-7-5-4-6-14(15)18(22)21-9-8-13(12-21)25-17-11-19-10-16(20-17)23-2/h4-7,10-11,13H,3,8-9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 343.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100613636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).