5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile

C18H19N5O — CID 133485643

IUPAC5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NC2CCN(CCCc3ccccc3)C2=O)cn1
InChIInChI=1S/C18H19N5O/c19-11-15-12-21-17(13-20-15)22-16-8-10-23(18(16)24)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,12-13,16H,4,7-10H2,(H,21,22)
InChIKeyFJEXTNUXPVPYOB-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.99
Rot. Bonds6

About 5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile

5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 133485643) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID133485643
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NC2CCN(CCCc3ccccc3)C2=O)cn1
InChIInChI=1S/C18H19N5O/c19-11-15-12-21-17(13-20-15)22-16-8-10-23(18(16)24)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,12-13,16H,4,7-10H2,(H,21,22)
InChIKeyFJEXTNUXPVPYOB-UHFFFAOYSA-N
XLogP1.99
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133483895
1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133418807
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133337113
3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133337054
6-[[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 95712148
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133337105
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 84598997
4-[[5-[2-[[(3R)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 11004204
1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
CID 166232757
2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 56898054

Frequently Asked Questions

What is the IUPAC name of 5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 133485643) is 5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(NC2CCN(CCCc3ccccc3)C2=O)cn1.
What is the InChIKey of 5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is FJEXTNUXPVPYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-11-15-12-21-17(13-20-15)22-16-8-10-23(18(16)24)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,12-13,16H,4,7-10H2,(H,21,22).
What are the key properties of 5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133485643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).