N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide

C17H20N4O3 — CID 90637578

IUPACN-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1cncc(OC2CCN(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C17H20N4O3/c1-23-15-10-18-11-16(20-15)24-14-7-8-21(12-14)17(22)19-9-13-5-3-2-4-6-13/h2-6,10-11,14H,7-9,12H2,1H3,(H,19,22)
InChIKeyNUCRLSSEYJGKKH-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.85
Rot. Bonds5

About N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide

N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide (PubChem CID 90637578) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
PubChem CID90637578
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1cncc(OC2CCN(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C17H20N4O3/c1-23-15-10-18-11-16(20-15)24-14-7-8-21(12-14)17(22)19-9-13-5-3-2-4-6-13/h2-6,10-11,14H,7-9,12H2,1H3,(H,19,22)
InChIKeyNUCRLSSEYJGKKH-UHFFFAOYSA-N
XLogP1.85
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 91627152
2-benzylsulfanyl-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637393
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
N-(2-ethoxyphenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637583
N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638035
N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637561
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100613636
2-(2-fluorophenoxy)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637391
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide (CID 90637578) is N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide is COc1cncc(OC2CCN(C(=O)NCc3ccccc3)C2)n1.
What is the InChIKey of N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is NUCRLSSEYJGKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-15-10-18-11-16(20-15)24-14-7-8-21(12-14)17(22)19-9-13-5-3-2-4-6-13/h2-6,10-11,14H,7-9,12H2,1H3,(H,19,22).
What are the key properties of N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.85, 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-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90637578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).