1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea

C19H22N4O3 — CID 16801441

IUPAC1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
SMILESCCOc1ccc(N2CC(NC(=O)Nc3ncccc3C)CC2=O)cc1
InChIInChI=1S/C19H22N4O3/c1-3-26-16-8-6-15(7-9-16)23-12-14(11-17(23)24)21-19(25)22-18-13(2)5-4-10-20-18/h4-10,14H,3,11-12H2,1-2H3,(H2,20,21,22,25)
InChIKeyIICWNGVALOOTOF-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.72
Rot. Bonds5

About 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea

1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea (PubChem CID 16801441) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
PubChem CID16801441
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
SMILESCCOc1ccc(N2CC(NC(=O)Nc3ncccc3C)CC2=O)cc1
InChIInChI=1S/C19H22N4O3/c1-3-26-16-8-6-15(7-9-16)23-12-14(11-17(23)24)21-19(25)22-18-13(2)5-4-10-20-18/h4-10,14H,3,11-12H2,1-2H3,(H2,20,21,22,25)
InChIKeyIICWNGVALOOTOF-UHFFFAOYSA-N
XLogP2.72
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546445
1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methylphenyl)urea
CID 7546263
(3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 2293930
1-(2,3-dichlorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970048
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 43969976
4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 7215443
1-(1,3-benzothiazol-2-yl)-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546531
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546577
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546480

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea (CID 16801441) is 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea is CCOc1ccc(N2CC(NC(=O)Nc3ncccc3C)CC2=O)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is IICWNGVALOOTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-26-16-8-6-15(7-9-16)23-12-14(11-17(23)24)21-19(25)22-18-13(2)5-4-10-20-18/h4-10,14H,3,11-12H2,1-2H3,(H2,20,21,22,25).
What are the key properties of 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea?
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 354.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 16801441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).