2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone

C16H18N4O — CID 167905138

IUPAC2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Nc2cnccn2)C1
InChIInChI=1S/C16H18N4O/c21-16(10-13-4-2-1-3-5-13)20-9-6-14(12-20)19-15-11-17-7-8-18-15/h1-5,7-8,11,14H,6,9-10,12H2,(H,18,19)
InChIKeyRGUPVXZCGVWEIJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.73
Rot. Bonds4

About 2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone

2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone (PubChem CID 167905138) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone
PubChem CID167905138
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Nc2cnccn2)C1
InChIInChI=1S/C16H18N4O/c21-16(10-13-4-2-1-3-5-13)20-9-6-14(12-20)19-15-11-17-7-8-18-15/h1-5,7-8,11,14H,6,9-10,12H2,(H,18,19)
InChIKeyRGUPVXZCGVWEIJ-UHFFFAOYSA-N
XLogP1.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-[(3R)-3-[(5-prop-2-enylpyrazin-2-yl)amino]piperidin-1-yl]ethanone
CID 141133490
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
CID 125437337
prop-1-en-2-yl (3R)-3-(pyrazin-2-ylamino)pyrrolidine-1-carboxylate
CID 89068665
3-(2-bromophenyl)-1-[3-(pyrazin-2-ylamino)azetidin-1-yl]propan-1-one
CID 131703833
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 167806026
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 45251610
N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
CID 166407641
1-[3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-1-yl]-2-phenylethanone
CID 59339024
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone (CID 167905138) is 2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCC(Nc2cnccn2)C1.
What is the InChIKey of 2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is RGUPVXZCGVWEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(10-13-4-2-1-3-5-13)20-9-6-14(12-20)19-15-11-17-7-8-18-15/h1-5,7-8,11,14H,6,9-10,12H2,(H,18,19).
What are the key properties of 2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone?
2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 282.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 167905138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).