1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one

C28H33N3O2 — CID 137290595

IUPAC1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccc(-c2cc(NCCCN3CCCC3=O)nc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C28H33N3O2/c1-28(2,3)23-11-7-20(8-12-23)22-18-25(21-9-13-24(32)14-10-21)30-26(19-22)29-15-5-17-31-16-4-6-27(31)33/h7-14,18-19,32H,4-6,15-17H2,1-3H3,(H,29,30)
InChIKeyGTLZSCZDACPPSO-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.84
Rot. Bonds7

About 1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one

1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one (PubChem CID 137290595) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
PubChem CID137290595
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccc(-c2cc(NCCCN3CCCC3=O)nc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C28H33N3O2/c1-28(2,3)23-11-7-20(8-12-23)22-18-25(21-9-13-24(32)14-10-21)30-26(19-22)29-15-5-17-31-16-4-6-27(31)33/h7-14,18-19,32H,4-6,15-17H2,1-3H3,(H,29,30)
InChIKeyGTLZSCZDACPPSO-UHFFFAOYSA-N
XLogP5.84
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-hydroxy-5-methoxyphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-pyridinyl]benzonitrile
CID 137306931
1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290617
1-[3-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290843
1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117089388
1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 90189569
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
CID 56884537
1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117084974
1-[3-[[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 85473056
1-[3-[(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 117084522
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one (CID 137290595) is 1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one is CC(C)(C)c1ccc(-c2cc(NCCCN3CCCC3=O)nc(-c3ccc(O)cc3)c2)cc1.
What is the InChIKey of 1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one?
The InChIKey is GTLZSCZDACPPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-28(2,3)23-11-7-20(8-12-23)22-18-25(21-9-13-24(32)14-10-21)30-26(19-22)29-15-5-17-31-16-4-6-27(31)33/h7-14,18-19,32H,4-6,15-17H2,1-3H3,(H,29,30).
What are the key properties of 1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one?
1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one has a molecular weight of 443.59 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 137290595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).