1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one

C21H23N3O — CID 41434796

IUPAC1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one
SMILESCc1cc(C)cc(-n2ccnc(NC[C@@H](C)c3ccccc3)c2=O)c1
InChIInChI=1S/C21H23N3O/c1-15-11-16(2)13-19(12-15)24-10-9-22-20(21(24)25)23-14-17(3)18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyNNMCSDMDZRPTGS-QGZVFWFLSA-N
MW333.44 g/mol
LogP4.06
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one

1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one (PubChem CID 41434796) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one
PubChem CID41434796
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one
SMILESCc1cc(C)cc(-n2ccnc(NC[C@@H](C)c3ccccc3)c2=O)c1
InChIInChI=1S/C21H23N3O/c1-15-11-16(2)13-19(12-15)24-10-9-22-20(21(24)25)23-14-17(3)18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyNNMCSDMDZRPTGS-QGZVFWFLSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-[[(2R)-2-phenylpropyl]amino]pyrazin-2-one
CID 41434797
3-(benzylamino)-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 20941608
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-phenylpropylamino)pyrazin-2-one
CID 16824626
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one
CID 41434722
1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one
CID 115917119
3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 16824606
3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 20941702
3-[(2-chloro-2-phenylethyl)amino]-1-methylpyrazin-2-one
CID 65027751
1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
CID 20941568
3-methyl-4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
CID 81065935
2,4,6-trimethyl-N-(2-phenylpropyl)aniline
CID 55192336
3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid
CID 62940771

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one (CID 41434796) is 1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one is Cc1cc(C)cc(-n2ccnc(NC[C@@H](C)c3ccccc3)c2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one?
The InChIKey is NNMCSDMDZRPTGS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-11-16(2)13-19(12-15)24-10-9-22-20(21(24)25)23-14-17(3)18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one?
1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one has a molecular weight of 333.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one is sourced from PubChem (CID 41434796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).