N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide

C23H24N4O3 — CID 90637150

IUPACN-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1nccnc1OC1CCN(C(=O)NC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H24N4O3/c1-29-21-22(25-14-13-24-21)30-19-12-15-27(16-19)23(28)26-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13-14,19-20H,12,15-16H2,1H3,(H,26,28)
InChIKeyCUIDRQWVKSREEJ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.44
Rot. Bonds6

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

N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide (PubChem CID 90637150) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
PubChem CID90637150
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1nccnc1OC1CCN(C(=O)NC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H24N4O3/c1-29-21-22(25-14-13-24-21)30-19-12-15-27(16-19)23(28)26-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13-14,19-20H,12,15-16H2,1H3,(H,26,28)
InChIKeyCUIDRQWVKSREEJ-UHFFFAOYSA-N
XLogP3.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 90636850
1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 100756830
N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 100757200
methyl 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]benzoate
CID 90636853
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 90636998
(3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 100612439
[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 100757035
3,4-dihydro-1H-isochromen-3-yl-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91626972
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
CID 90637078
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90636845
1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 91628122

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide (CID 90637150) is N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide is COc1nccnc1OC1CCN(C(=O)NC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is CUIDRQWVKSREEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-21-22(25-14-13-24-21)30-19-12-15-27(16-19)23(28)26-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13-14,19-20H,12,15-16H2,1H3,(H,26,28).
What are the key properties of N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide?
N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90637150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).