1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea

C20H24N4O3 — CID 167861510

IUPAC1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea
SMILESCCN(Cc1cccnc1)C(=O)NC1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C20H24N4O3/c1-3-23(13-15-5-4-10-21-12-15)20(26)22-16-11-19(25)24(14-16)17-6-8-18(27-2)9-7-17/h4-10,12,16H,3,11,13-14H2,1-2H3,(H,22,26)
InChIKeyRYUYEFLQGUOWFX-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.43
Rot. Bonds6

About 1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea

1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 167861510) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea
PubChem CID167861510
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea
SMILESCCN(Cc1cccnc1)C(=O)NC1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C20H24N4O3/c1-3-23(13-15-5-4-10-21-12-15)20(26)22-16-11-19(25)24(14-16)17-6-8-18(27-2)9-7-17/h4-10,12,16H,3,11,13-14H2,1-2H3,(H,22,26)
InChIKeyRYUYEFLQGUOWFX-UHFFFAOYSA-N
XLogP2.43
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 7545609
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
1-benzyl-1-butyl-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543894
1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969498
1-cyclohexyl-1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572688
1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969207
1-benzyl-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7545625
3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-diethylurea
CID 7552346
3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea
CID 7546668
1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea
CID 7548446
1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7544783
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea (CID 167861510) is 1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea is CCN(Cc1cccnc1)C(=O)NC1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of 1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea?
The InChIKey is RYUYEFLQGUOWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-23(13-15-5-4-10-21-12-15)20(26)22-16-11-19(25)24(14-16)17-6-8-18(27-2)9-7-17/h4-10,12,16H,3,11,13-14H2,1-2H3,(H,22,26).
What are the key properties of 1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea?
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 368.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 167861510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).