1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one

C28H37N3O3 — CID 102114437

IUPAC1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one
SMILESCC(C)(C)c1ccn(C(n2ccc(C(C)(C)C)cc2=O)n2ccc(C(C)(C)C)cc2=O)c(=O)c1
InChIInChI=1S/C28H37N3O3/c1-26(2,3)19-10-13-29(22(32)16-19)25(30-14-11-20(17-23(30)33)27(4,5)6)31-15-12-21(18-24(31)34)28(7,8)9/h10-18,25H,1-9H3
InChIKeyXPKDPDITOQVJFP-UHFFFAOYSA-N
MW463.62 g/mol
LogP4.62
Rot. Bonds3

About 1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one

1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one (PubChem CID 102114437) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is 1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one.

Molecular Properties

Compound Name1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one
PubChem CID102114437
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC Name1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one
SMILESCC(C)(C)c1ccn(C(n2ccc(C(C)(C)C)cc2=O)n2ccc(C(C)(C)C)cc2=O)c(=O)c1
InChIInChI=1S/C28H37N3O3/c1-26(2,3)19-10-13-29(22(32)16-19)25(30-14-11-20(17-23(30)33)27(4,5)6)31-15-12-21(18-24(31)34)28(7,8)9/h10-18,25H,1-9H3
InChIKeyXPKDPDITOQVJFP-UHFFFAOYSA-N
XLogP4.62
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one?
The IUPAC name of 1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one (CID 102114437) is 1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one.
What is the SMILES notation for 1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one?
The canonical SMILES for 1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one is CC(C)(C)c1ccn(C(n2ccc(C(C)(C)C)cc2=O)n2ccc(C(C)(C)C)cc2=O)c(=O)c1.
What is the InChIKey of 1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one?
The InChIKey is XPKDPDITOQVJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-26(2,3)19-10-13-29(22(32)16-19)25(30-14-11-20(17-23(30)33)27(4,5)6)31-15-12-21(18-24(31)34)28(7,8)9/h10-18,25H,1-9H3.
What are the key properties of 1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one?
1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one has a molecular weight of 463.62 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-tert-butyl-2-oxo-1-pyridinyl)methyl]-4-tert-butylpyridin-2-one is sourced from PubChem (CID 102114437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).