(2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C18H20N4O2 — CID 124948573

IUPAC(2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C18H20N4O2/c19-17(24)18(15-13-20-10-11-21-15)9-4-12-22(18)16(23)8-7-14-5-2-1-3-6-14/h1-3,5-6,10-11,13H,4,7-9,12H2,(H2,19,24)/t18-/m1/s1
InChIKeyCNYABMPHWYEOEF-GOSISDBHSA-N
MW324.38 g/mol
LogP1.41
Rot. Bonds5

About (2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide

(2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 124948573) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID124948573
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C18H20N4O2/c19-17(24)18(15-13-20-10-11-21-15)9-4-12-22(18)16(23)8-7-14-5-2-1-3-6-14/h1-3,5-6,10-11,13H,4,7-9,12H2,(H2,19,24)/t18-/m1/s1
InChIKeyCNYABMPHWYEOEF-GOSISDBHSA-N
XLogP1.41
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124941438
(2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124941437
(2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124947122
2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide
CID 118740026
N-methyl-2-pyrazin-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 127245834
(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125011653
(2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124944335
(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 127245882
1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 110098709
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 118740311
(2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 125006023

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 124948573) is (2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide is NC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CCc1ccccc1.
What is the InChIKey of (2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is CNYABMPHWYEOEF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-17(24)18(15-13-20-10-11-21-15)9-4-12-22(18)16(23)8-7-14-5-2-1-3-6-14/h1-3,5-6,10-11,13H,4,7-9,12H2,(H2,19,24)/t18-/m1/s1.
What are the key properties of (2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124948573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).