1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea

C24H25N5O2 — CID 166234843

IUPAC1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea
SMILESO=C(NCC1CC(=O)N(CCc2ccccc2)C1)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C24H25N5O2/c30-23-15-19(17-29(23)14-13-18-7-3-1-4-8-18)16-25-24(31)26-22-12-11-21(27-28-22)20-9-5-2-6-10-20/h1-12,19H,13-17H2,(H2,25,26,28,31)
InChIKeyUSLULOFQHAIHHI-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.36
Rot. Bonds7

About 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea

1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea (PubChem CID 166234843) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea.

Molecular Properties

Compound Name1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea
PubChem CID166234843
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea
SMILESO=C(NCC1CC(=O)N(CCc2ccccc2)C1)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C24H25N5O2/c30-23-15-19(17-29(23)14-13-18-7-3-1-4-8-18)16-25-24(31)26-22-12-11-21(27-28-22)20-9-5-2-6-10-20/h1-12,19H,13-17H2,(H2,25,26,28,31)
InChIKeyUSLULOFQHAIHHI-UHFFFAOYSA-N
XLogP3.36
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
1-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 96541027
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538
2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640187
2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
CID 110640189
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
CID 3025488
2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97082046
cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 96535343
(1R,2S,4R)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129434820
3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile
CID 99858269

Frequently Asked Questions

What is the IUPAC name of 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea?
The IUPAC name of 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea (CID 166234843) is 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea.
What is the SMILES notation for 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea?
The canonical SMILES for 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea is O=C(NCC1CC(=O)N(CCc2ccccc2)C1)Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea?
The InChIKey is USLULOFQHAIHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-23-15-19(17-29(23)14-13-18-7-3-1-4-8-18)16-25-24(31)26-22-12-11-21(27-28-22)20-9-5-2-6-10-20/h1-12,19H,13-17H2,(H2,25,26,28,31).
What are the key properties of 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea?
1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea has a molecular weight of 415.50 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea is sourced from PubChem (CID 166234843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).