3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one

C23H34N2O2 — CID 146282662

IUPAC3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one
SMILESCCn1cccc(C(C)(C)CCCCn2cccc(C(C)(C)C)c2=O)c1=O
InChIInChI=1S/C23H34N2O2/c1-7-24-16-11-13-19(21(24)27)23(5,6)14-8-9-15-25-17-10-12-18(20(25)26)22(2,3)4/h10-13,16-17H,7-9,14-15H2,1-6H3
InChIKeyYBFHPUFTZGSFIG-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.48
Rot. Bonds7

About 3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one

3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one (PubChem CID 146282662) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one
PubChem CID146282662
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one
SMILESCCn1cccc(C(C)(C)CCCCn2cccc(C(C)(C)C)c2=O)c1=O
InChIInChI=1S/C23H34N2O2/c1-7-24-16-11-13-19(21(24)27)23(5,6)14-8-9-15-25-17-10-12-18(20(25)26)22(2,3)4/h10-13,16-17H,7-9,14-15H2,1-6H3
InChIKeyYBFHPUFTZGSFIG-UHFFFAOYSA-N
XLogP4.48
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one?
The IUPAC name of 3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one (CID 146282662) is 3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one.
What is the SMILES notation for 3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one?
The canonical SMILES for 3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one is CCn1cccc(C(C)(C)CCCCn2cccc(C(C)(C)C)c2=O)c1=O.
What is the InChIKey of 3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one?
The InChIKey is YBFHPUFTZGSFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-7-24-16-11-13-19(21(24)27)23(5,6)14-8-9-15-25-17-10-12-18(20(25)26)22(2,3)4/h10-13,16-17H,7-9,14-15H2,1-6H3.
What are the key properties of 3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one?
3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one has a molecular weight of 370.54 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylhexan-2-yl]-1-ethylpyridin-2-one is sourced from PubChem (CID 146282662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).