1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea

C23H21FN4O2 — CID 58150117

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1
InChIInChI=1S/C23H21FN4O2/c24-19-8-6-16(7-9-19)14-26-23(30)27-21-13-20(10-11-25-21)28-15-18(12-22(28)29)17-4-2-1-3-5-17/h1-11,13,18H,12,14-15H2,(H2,25,26,27,30)
InChIKeyVVONPEDPNBLTSF-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.06
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea

1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea (PubChem CID 58150117) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
PubChem CID58150117
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1
InChIInChI=1S/C23H21FN4O2/c24-19-8-6-16(7-9-19)14-26-23(30)27-21-13-20(10-11-25-21)28-15-18(12-22(28)29)17-4-2-1-3-5-17/h1-11,13,18H,12,14-15H2,(H2,25,26,27,30)
InChIKeyVVONPEDPNBLTSF-UHFFFAOYSA-N
XLogP4.06
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]benzamide
CID 58150102
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-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea
CID 66971362
1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
CID 66971321
N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 124636526
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-benzyl-3-[4-[(3S)-3-cyano-3-hydroxy-2-oxopyrrolidin-1-yl]-2-pyridinyl]urea
CID 121380842
1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547224
1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea
CID 66971371

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea (CID 58150117) is 1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea is O=C(NCc1ccc(F)cc1)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
The InChIKey is VVONPEDPNBLTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-19-8-6-16(7-9-19)14-26-23(30)27-21-13-20(10-11-25-21)28-15-18(12-22(28)29)17-4-2-1-3-5-17/h1-11,13,18H,12,14-15H2,(H2,25,26,27,30).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea has a molecular weight of 404.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea is sourced from PubChem (CID 58150117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).