3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one

C22H30N2O2 — CID 135127287

IUPAC3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one
SMILESCn1cccc(C(C)(C)CC2CC2n2ccc(C(C)(C)C)cc2=O)c1=O
InChIInChI=1S/C22H30N2O2/c1-21(2,3)16-9-11-24(19(25)13-16)18-12-15(18)14-22(4,5)17-8-7-10-23(6)20(17)26/h7-11,13,15,18H,12,14H2,1-6H3
InChIKeyGFKVWACKMQWYAM-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.77
Rot. Bonds4

About 3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one

3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one (PubChem CID 135127287) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one
PubChem CID135127287
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one
SMILESCn1cccc(C(C)(C)CC2CC2n2ccc(C(C)(C)C)cc2=O)c1=O
InChIInChI=1S/C22H30N2O2/c1-21(2,3)16-9-11-24(19(25)13-16)18-12-15(18)14-22(4,5)17-8-7-10-23(6)20(17)26/h7-11,13,15,18H,12,14H2,1-6H3
InChIKeyGFKVWACKMQWYAM-UHFFFAOYSA-N
XLogP3.77
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one (CID 135127287) is 3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one is Cn1cccc(C(C)(C)CC2CC2n2ccc(C(C)(C)C)cc2=O)c1=O.
What is the InChIKey of 3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one?
The InChIKey is GFKVWACKMQWYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-21(2,3)16-9-11-24(19(25)13-16)18-12-15(18)14-22(4,5)17-8-7-10-23(6)20(17)26/h7-11,13,15,18H,12,14H2,1-6H3.
What are the key properties of 3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one?
3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one has a molecular weight of 354.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 135127287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).