3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one

C22H25N3O — CID 20941702

IUPAC3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one
SMILESCC(C)c1ccc(-n2ccnc(NCCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C22H25N3O/c1-17(2)19-10-12-20(13-11-19)25-16-15-24-21(22(25)26)23-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,15-17H,6,9,14H2,1-2H3,(H,23,24)
InChIKeyLZXNLAOIFVUUPP-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.40
Rot. Bonds7

About 3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one

3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one (PubChem CID 20941702) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one
PubChem CID20941702
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one
SMILESCC(C)c1ccc(-n2ccnc(NCCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C22H25N3O/c1-17(2)19-10-12-20(13-11-19)25-16-15-24-21(22(25)26)23-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,15-17H,6,9,14H2,1-2H3,(H,23,24)
InChIKeyLZXNLAOIFVUUPP-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 46337473
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 46337598
1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one
CID 62938464
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 20941589
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 46337596
N-cyclopropyl-4-methyl-3-[2-oxo-3-(3-phenylpropylamino)pyrazin-1-yl]benzamide
CID 66689834
3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 20941608
1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one
CID 41434796
1-(3,5-dimethylphenyl)-3-[[(2R)-2-phenylpropyl]amino]pyrazin-2-one
CID 41434797
3-(benzylamino)-1-(3-chloro-4-fluorophenyl)pyrazin-2-one
CID 46337507
1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea
CID 53118315

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one?
The IUPAC name of 3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one (CID 20941702) is 3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one?
The canonical SMILES for 3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one is CC(C)c1ccc(-n2ccnc(NCCCc3ccccc3)c2=O)cc1.
What is the InChIKey of 3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one?
The InChIKey is LZXNLAOIFVUUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17(2)19-10-12-20(13-11-19)25-16-15-24-21(22(25)26)23-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,15-17H,6,9,14H2,1-2H3,(H,23,24).
What are the key properties of 3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one?
3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one has a molecular weight of 347.46 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one is sourced from PubChem (CID 20941702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).