1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one

C29H31N3O2 — CID 172517290

IUPAC1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccncc1-c1ccc(-c2cc(N3CCCC3=O)cc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C29H31N3O2/c1-29(2,3)26-12-13-30-19-25(26)21-10-8-20(9-11-21)22-16-23(31-14-4-6-27(31)33)18-24(17-22)32-15-5-7-28(32)34/h8-13,16-19H,4-7,14-15H2,1-3H3
InChIKeyAOWTUALNHMAHPK-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.97
Rot. Bonds4

About 1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one

1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 172517290) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
PubChem CID172517290
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccncc1-c1ccc(-c2cc(N3CCCC3=O)cc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C29H31N3O2/c1-29(2,3)26-12-13-30-19-25(26)21-10-8-20(9-11-21)22-16-23(31-14-4-6-27(31)33)18-24(17-22)32-15-5-7-28(32)34/h8-13,16-19H,4-7,14-15H2,1-3H3
InChIKeyAOWTUALNHMAHPK-UHFFFAOYSA-N
XLogP5.97
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-bis[4-(4-tert-butyl-3-pyridinyl)phenyl]phenyl]piperidin-2-one
CID 172516998
1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 172517099
1-[3-[4-[5-(3,5-ditert-butylphenyl)-2-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517215
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one
CID 129218927
1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one
CID 6918219
1-[3-[4-tert-butyl-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 176828076
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517299
1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517282
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
1-(5-methyl-4-pyridin-4-yl-5H-chromeno[4,3-c]pyridin-8-yl)pyrrolidin-2-one
CID 142612210

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one (CID 172517290) is 1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one is CC(C)(C)c1ccncc1-c1ccc(-c2cc(N3CCCC3=O)cc(N3CCCC3=O)c2)cc1.
What is the InChIKey of 1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is AOWTUALNHMAHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-29(2,3)26-12-13-30-19-25(26)21-10-8-20(9-11-21)22-16-23(31-14-4-6-27(31)33)18-24(17-22)32-15-5-7-28(32)34/h8-13,16-19H,4-7,14-15H2,1-3H3.
What are the key properties of 1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 453.59 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 172517290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).