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

C14H23N5O3 — CID 53185668

IUPAC1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
SMILESCCOc1nccnc1N1CCC(NC(=O)NCCOC)C1
InChIInChI=1S/C14H23N5O3/c1-3-22-13-12(15-5-6-16-13)19-8-4-11(10-19)18-14(20)17-7-9-21-2/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyNZTWUHTUQNRANM-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.40
Rot. Bonds7

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

1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea (PubChem CID 53185668) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
PubChem CID53185668
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
SMILESCCOc1nccnc1N1CCC(NC(=O)NCCOC)C1
InChIInChI=1S/C14H23N5O3/c1-3-22-13-12(15-5-6-16-13)19-8-4-11(10-19)18-14(20)17-7-9-21-2/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyNZTWUHTUQNRANM-UHFFFAOYSA-N
XLogP0.40
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea (CID 53185668) is 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea is CCOc1nccnc1N1CCC(NC(=O)NCCOC)C1.
What is the InChIKey of 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
The InChIKey is NZTWUHTUQNRANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-3-22-13-12(15-5-6-16-13)19-8-4-11(10-19)18-14(20)17-7-9-21-2/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea has a molecular weight of 309.37 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 53185668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).