(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone

C20H24N4O — CID 127245882

IUPAC(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(c2cnccn2)CCCN1Cc1ccccc1
InChIInChI=1S/C20H24N4O/c25-19(23-12-4-5-13-23)20(18-15-21-10-11-22-18)9-6-14-24(20)16-17-7-2-1-3-8-17/h1-3,7-8,10-11,15H,4-6,9,12-14,16H2
InChIKeyNDDOZJHEBZDWDJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.59
Rot. Bonds4

About (1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone

(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 127245882) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID127245882
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(c2cnccn2)CCCN1Cc1ccccc1
InChIInChI=1S/C20H24N4O/c25-19(23-12-4-5-13-23)20(18-15-21-10-11-22-18)9-6-14-24(20)16-17-7-2-1-3-8-17/h1-3,7-8,10-11,15H,4-6,9,12-14,16H2
InChIKeyNDDOZJHEBZDWDJ-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 124986602
[1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 127245885
(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
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 124986361
1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 125009234
1-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245773
cyclopentyl-[2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 127245896
(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991235
(2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124948573
(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125005876
1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone (CID 127245882) is (1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)C1(c2cnccn2)CCCN1Cc1ccccc1.
What is the InChIKey of (1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NDDOZJHEBZDWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-19(23-12-4-5-13-23)20(18-15-21-10-11-22-18)9-6-14-24(20)16-17-7-2-1-3-8-17/h1-3,7-8,10-11,15H,4-6,9,12-14,16H2.
What are the key properties of (1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 336.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 127245882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).