[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

C17H20N4O2 — CID 90636200

IUPAC[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCC(Oc3cnccn3)C2)cc1
InChIInChI=1S/C17H20N4O2/c1-20(2)14-5-3-13(4-6-14)17(22)21-10-7-15(12-21)23-16-11-18-8-9-19-16/h3-6,8-9,11,15H,7,10,12H2,1-2H3
InChIKeySWEOWLFTRLRLBR-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.84
Rot. Bonds4

About [4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 90636200) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID90636200
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCC(Oc3cnccn3)C2)cc1
InChIInChI=1S/C17H20N4O2/c1-20(2)14-5-3-13(4-6-14)17(22)21-10-7-15(12-21)23-16-11-18-8-9-19-16/h3-6,8-9,11,15H,7,10,12H2,1-2H3
InChIKeySWEOWLFTRLRLBR-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
[4-(dimethylamino)phenyl]-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261412
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753272
(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636093

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 90636200) is [4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is CN(C)c1ccc(C(=O)N2CCC(Oc3cnccn3)C2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is SWEOWLFTRLRLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20(2)14-5-3-13(4-6-14)17(22)21-10-7-15(12-21)23-16-11-18-8-9-19-16/h3-6,8-9,11,15H,7,10,12H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90636200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).