1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one

C21H23N3O2 — CID 18592020

IUPAC1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one
SMILESCCOc1ccc(-n2ccnc(NCC(C)c3ccccc3)c2=O)cc1
InChIInChI=1S/C21H23N3O2/c1-3-26-19-11-9-18(10-12-19)24-14-13-22-20(21(24)25)23-15-16(2)17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,22,23)
InChIKeyIKLZFQLXRWQHEI-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.85
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one

1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one (PubChem CID 18592020) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one
PubChem CID18592020
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one
SMILESCCOc1ccc(-n2ccnc(NCC(C)c3ccccc3)c2=O)cc1
InChIInChI=1S/C21H23N3O2/c1-3-26-19-11-9-18(10-12-19)24-14-13-22-20(21(24)25)23-15-16(2)17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,22,23)
InChIKeyIKLZFQLXRWQHEI-UHFFFAOYSA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one (CID 18592020) is 1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one is CCOc1ccc(-n2ccnc(NCC(C)c3ccccc3)c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one?
The InChIKey is IKLZFQLXRWQHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-26-19-11-9-18(10-12-19)24-14-13-22-20(21(24)25)23-15-16(2)17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,22,23).
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one?
1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-phenylpropylamino)pyrazin-2-one is sourced from PubChem (CID 18592020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).