1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea

C23H22N4O3 — CID 167852106

IUPAC1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea
SMILESCc1cc(Oc2ccccn2)ccc1NC(=O)Nc1cccc(C2CCC(=O)N2)c1
InChIInChI=1S/C23H22N4O3/c1-15-13-18(30-22-7-2-3-12-24-22)8-9-19(15)27-23(29)25-17-6-4-5-16(14-17)20-10-11-21(28)26-20/h2-9,12-14,20H,10-11H2,1H3,(H,26,28)(H2,25,27,29)
InChIKeyWPOYPNMYXLIXLW-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.78
Rot. Bonds5

About 1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea

1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea (PubChem CID 167852106) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea
PubChem CID167852106
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea
SMILESCc1cc(Oc2ccccn2)ccc1NC(=O)Nc1cccc(C2CCC(=O)N2)c1
InChIInChI=1S/C23H22N4O3/c1-15-13-18(30-22-7-2-3-12-24-22)8-9-19(15)27-23(29)25-17-6-4-5-16(14-17)20-10-11-21(28)26-20/h2-9,12-14,20H,10-11H2,1H3,(H,26,28)(H2,25,27,29)
InChIKeyWPOYPNMYXLIXLW-UHFFFAOYSA-N
XLogP4.78
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 167948941
N-[3-(5-oxopyrrolidin-2-yl)phenyl]-2-phenoxyacetamide
CID 167939156
N-[3-(5-oxopyrrolidin-2-yl)phenyl]-2-phenoxybenzamide
CID 167859238
1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea
CID 124608069
7,8-dimethyl-2-(3-pyridin-2-yloxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 157336217
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
2-hydroxy-2-phenyl-N-(3-pyridin-2-yloxyphenyl)acetamide
CID 111540805
7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide
CID 167861382
4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119884858
1-(4-methoxy-2-methylphenyl)-3-[3-(3-thiomorpholin-4-ylpyrazin-2-yl)phenyl]urea
CID 71839883
1-benzyl-3,5-dimethyl-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyrazole-4-carboxamide
CID 166237160
1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302256

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea?
The IUPAC name of 1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea (CID 167852106) is 1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea?
The canonical SMILES for 1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea is Cc1cc(Oc2ccccn2)ccc1NC(=O)Nc1cccc(C2CCC(=O)N2)c1.
What is the InChIKey of 1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea?
The InChIKey is WPOYPNMYXLIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-13-18(30-22-7-2-3-12-24-22)8-9-19(15)27-23(29)25-17-6-4-5-16(14-17)20-10-11-21(28)26-20/h2-9,12-14,20H,10-11H2,1H3,(H,26,28)(H2,25,27,29).
What are the key properties of 1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea?
1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea has a molecular weight of 402.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea is sourced from PubChem (CID 167852106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).