1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea

C18H21N5O2 — CID 125136369

IUPAC1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea
SMILESCN(CCc1cnccn1)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H21N5O2/c1-22(10-7-14-12-19-8-9-20-14)18(25)21-15-11-17(24)23(13-15)16-5-3-2-4-6-16/h2-6,8-9,12,15H,7,10-11,13H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyVQAFDPDZFXDCQK-HNNXBMFYSA-N
MW339.40 g/mol
LogP1.47
Rot. Bonds5

About 1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea

1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea (PubChem CID 125136369) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea
PubChem CID125136369
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea
SMILESCN(CCc1cnccn1)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H21N5O2/c1-22(10-7-14-12-19-8-9-20-14)18(25)21-15-11-17(24)23(13-15)16-5-3-2-4-6-16/h2-6,8-9,12,15H,7,10-11,13H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyVQAFDPDZFXDCQK-HNNXBMFYSA-N
XLogP1.47
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)-1-methylurea
CID 43969926
1-benzyl-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7545606
1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513218
1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969233
1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969207
1-butyl-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7543865
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenoxypropanamide
CID 110736812
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969205
1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7544783

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea (CID 125136369) is 1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea is CN(CCc1cnccn1)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea?
The InChIKey is VQAFDPDZFXDCQK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22(10-7-14-12-19-8-9-20-14)18(25)21-15-11-17(24)23(13-15)16-5-3-2-4-6-16/h2-6,8-9,12,15H,7,10-11,13H2,1H3,(H,21,25)/t15-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea?
1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea has a molecular weight of 339.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-(2-pyrazin-2-ylethyl)urea is sourced from PubChem (CID 125136369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).