3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea

C20H23FN4O2 — CID 125446741

IUPAC3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea
SMILESCCN1C[C@H](NC(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)CC1=O
InChIInChI=1S/C20H23FN4O2/c1-2-24-14-18(11-19(24)26)23-20(27)25(13-16-7-9-22-10-8-16)12-15-3-5-17(21)6-4-15/h3-10,18H,2,11-14H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyWZIWZDXCOGDMRV-GOSISDBHSA-N
MW370.43 g/mol
LogP2.55
Rot. Bonds6

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

3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea (PubChem CID 125446741) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea
PubChem CID125446741
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea
SMILESCCN1C[C@H](NC(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)CC1=O
InChIInChI=1S/C20H23FN4O2/c1-2-24-14-18(11-19(24)26)23-20(27)25(13-16-7-9-22-10-8-16)12-15-3-5-17(21)6-4-15/h3-10,18H,2,11-14H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyWZIWZDXCOGDMRV-GOSISDBHSA-N
XLogP2.55
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 122558093
3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 56911030
3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7547670
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876896
2-acetamido-N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 26334712
1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969207
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584
1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 125435876
3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
CID 56906789
(3R)-1-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94088856

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea (CID 125446741) is 3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea is CCN1C[C@H](NC(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)CC1=O.
What is the InChIKey of 3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea?
The InChIKey is WZIWZDXCOGDMRV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-2-24-14-18(11-19(24)26)23-20(27)25(13-16-7-9-22-10-8-16)12-15-3-5-17(21)6-4-15/h3-10,18H,2,11-14H2,1H3,(H,23,27)/t18-/m1/s1.
What are the key properties of 3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea?
3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea has a molecular weight of 370.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 125446741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).