N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide

C18H23N5O2 — CID 91627152

IUPACN-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
SMILESCN(C)c1cncc(OC2CCN(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C18H23N5O2/c1-22(2)16-11-19-12-17(21-16)25-15-8-9-23(13-15)18(24)20-10-14-6-4-3-5-7-14/h3-7,11-12,15H,8-10,13H2,1-2H3,(H,20,24)
InChIKeyMXWQZIWTOSWKPF-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.91
Rot. Bonds5

About N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide

N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide (PubChem CID 91627152) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
PubChem CID91627152
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
SMILESCN(C)c1cncc(OC2CCN(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C18H23N5O2/c1-22(2)16-11-19-12-17(21-16)25-15-8-9-23(13-15)18(24)20-10-14-6-4-3-5-7-14/h3-7,11-12,15H,8-10,13H2,1-2H3,(H,20,24)
InChIKeyMXWQZIWTOSWKPF-UHFFFAOYSA-N
XLogP1.91
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638035
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 90637713
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 91627088
ethyl 3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 90637870
N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638058
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 100619229
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 90637973
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide?
The IUPAC name of N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide (CID 91627152) is N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide is CN(C)c1cncc(OC2CCN(C(=O)NCc3ccccc3)C2)n1.
What is the InChIKey of N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide?
The InChIKey is MXWQZIWTOSWKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)16-11-19-12-17(21-16)25-15-8-9-23(13-15)18(24)20-10-14-6-4-3-5-7-14/h3-7,11-12,15H,8-10,13H2,1-2H3,(H,20,24).
What are the key properties of N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide?
N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 91627152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).