1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea

C18H23N5O2 — CID 53185666

IUPAC1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea
SMILESCCOc1nccnc1N1CCC(NC(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H23N5O2/c1-2-25-17-16(19-9-10-20-17)23-11-8-15(13-23)22-18(24)21-12-14-6-4-3-5-7-14/h3-7,9-10,15H,2,8,11-13H2,1H3,(H2,21,22,24)
InChIKeyUSGLLYQCDOAQTR-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.95
Rot. Bonds6

About 1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea

1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea (PubChem CID 53185666) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea
PubChem CID53185666
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea
SMILESCCOc1nccnc1N1CCC(NC(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H23N5O2/c1-2-25-17-16(19-9-10-20-17)23-11-8-15(13-23)22-18(24)21-12-14-6-4-3-5-7-14/h3-7,9-10,15H,2,8,11-13H2,1H3,(H2,21,22,24)
InChIKeyUSGLLYQCDOAQTR-UHFFFAOYSA-N
XLogP1.95
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 53185662
N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 95107733
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide
CID 53185697
1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95759860
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
[(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol
CID 126804917
1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea
CID 72561982
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874685
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
CID 55921755

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea (CID 53185666) is 1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea is CCOc1nccnc1N1CCC(NC(=O)NCc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea?
The InChIKey is USGLLYQCDOAQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-25-17-16(19-9-10-20-17)23-11-8-15(13-23)22-18(24)21-12-14-6-4-3-5-7-14/h3-7,9-10,15H,2,8,11-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea?
1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea has a molecular weight of 341.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 53185666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).