1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea

C20H24N4O2 — CID 58150100

IUPAC1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
SMILESCC(C)(C)NC(=O)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)23-19(26)22-17-12-16(9-10-21-17)24-13-15(11-18(24)25)14-7-5-4-6-8-14/h4-10,12,15H,11,13H2,1-3H3,(H2,21,22,23,26)
InChIKeyVSLZACUHSNWYEU-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.52
Rot. Bonds3

About 1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea

1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea (PubChem CID 58150100) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
PubChem CID58150100
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
SMILESCC(C)(C)NC(=O)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)23-19(26)22-17-12-16(9-10-21-17)24-13-15(11-18(24)25)14-7-5-4-6-8-14/h4-10,12,15H,11,13H2,1-3H3,(H2,21,22,23,26)
InChIKeyVSLZACUHSNWYEU-UHFFFAOYSA-N
XLogP3.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloroethyl)-3-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]urea
CID 124636542
N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 58150092
N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 124636526
1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
CID 58150117
N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide
CID 76687568
4-fluoro-N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]benzamide
CID 58150102
4-methoxy-N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]benzamide
CID 124636540
1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
CID 66971321
1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea
CID 66971362
4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 90976243
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544056
1-tert-butyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
CID 7552143

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
The IUPAC name of 1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea (CID 58150100) is 1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea is CC(C)(C)NC(=O)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1.
What is the InChIKey of 1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
The InChIKey is VSLZACUHSNWYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2,3)23-19(26)22-17-12-16(9-10-21-17)24-13-15(11-18(24)25)14-7-5-4-6-8-14/h4-10,12,15H,11,13H2,1-3H3,(H2,21,22,23,26).
What are the key properties of 1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea?
1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea has a molecular weight of 352.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea is sourced from PubChem (CID 58150100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).