1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea

C23H20F3N5O2 — CID 66971362

IUPAC1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)Nc1cc(N2CC(c3cccc(C(F)(F)F)c3)CC2=O)ccn1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)17-5-3-4-15(10-17)16-11-21(32)31(14-16)19-7-9-28-20(12-19)30-22(33)29-13-18-6-1-2-8-27-18/h1-10,12,16H,11,13-14H2,(H2,28,29,30,33)
InChIKeyOUVWVBJVAJMCRF-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.34
Rot. Bonds5

About 1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea

1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 66971362) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID66971362
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)Nc1cc(N2CC(c3cccc(C(F)(F)F)c3)CC2=O)ccn1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)17-5-3-4-15(10-17)16-11-21(32)31(14-16)19-7-9-28-20(12-19)30-22(33)29-13-18-6-1-2-8-27-18/h1-10,12,16H,11,13-14H2,(H2,28,29,30,33)
InChIKeyOUVWVBJVAJMCRF-UHFFFAOYSA-N
XLogP4.34
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
CID 58150117
1-(2-chloroethyl)-3-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]urea
CID 124636542
1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
CID 58150100
N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 58150092
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea
CID 16819860
4-fluoro-N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]benzamide
CID 58150102
N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 124636526
1-[4-[2-oxo-5-(phenylmethoxymethyl)-1,3-oxazolidin-3-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea
CID 66971598
N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide
CID 76687568
4-methoxy-N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]benzamide
CID 124636540
1-[3-(difluoromethyl)phenyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 166541592

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea (CID 66971362) is 1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea is O=C(NCc1ccccn1)Nc1cc(N2CC(c3cccc(C(F)(F)F)c3)CC2=O)ccn1.
What is the InChIKey of 1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is OUVWVBJVAJMCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c24-23(25,26)17-5-3-4-15(10-17)16-11-21(32)31(14-16)19-7-9-28-20(12-19)30-22(33)29-13-18-6-1-2-8-27-18/h1-10,12,16H,11,13-14H2,(H2,28,29,30,33).
What are the key properties of 1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea?
1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 455.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 66971362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).