1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one

C20H26N4O2 — CID 90637973

IUPAC1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCC(Oc3cncc(N(C)C)n3)C2)c1
InChIInChI=1S/C20H26N4O2/c1-15-5-4-6-16(11-15)7-8-20(25)24-10-9-17(14-24)26-19-13-21-12-18(22-19)23(2)3/h4-6,11-13,17H,7-10,14H2,1-3H3
InChIKeyPDBPLNYXHCVEKB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.46
Rot. Bonds6

About 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one

1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one (PubChem CID 90637973) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one
PubChem CID90637973
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCC(Oc3cncc(N(C)C)n3)C2)c1
InChIInChI=1S/C20H26N4O2/c1-15-5-4-6-16(11-15)7-8-20(25)24-10-9-17(14-24)26-19-13-21-12-18(22-19)23(2)3/h4-6,11-13,17H,7-10,14H2,1-3H3
InChIKeyPDBPLNYXHCVEKB-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 90637713
4-chloro-1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]butan-1-one
CID 90637772
3-(3-methylphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100623367
N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 91627152
ethyl 3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 90637870
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 90637779
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-ethoxyethanone
CID 91627081
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 90637953
2-cyclohexyl-1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]ethanone
CID 90637761
2-(3,4-dimethoxyphenyl)-1-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]ethanone
CID 100616751
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 91627088
1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 100616302

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one?
The IUPAC name of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one (CID 90637973) is 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one?
The canonical SMILES for 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one is Cc1cccc(CCC(=O)N2CCC(Oc3cncc(N(C)C)n3)C2)c1.
What is the InChIKey of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one?
The InChIKey is PDBPLNYXHCVEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-5-4-6-16(11-15)7-8-20(25)24-10-9-17(14-24)26-19-13-21-12-18(22-19)23(2)3/h4-6,11-13,17H,7-10,14H2,1-3H3.
What are the key properties of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one?
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 90637973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).