3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one

C23H34N2O2 — CID 146512701

IUPAC3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cccc(C(C)(C)CC(C)n2cccc(C(C)(C)C)c2=O)c1=O
InChIInChI=1S/C23H34N2O2/c1-16(2)24-13-10-12-19(21(24)27)23(7,8)15-17(3)25-14-9-11-18(20(25)26)22(4,5)6/h9-14,16-17H,15H2,1-8H3
InChIKeyXBVSUMIALVYZCX-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.82
Rot. Bonds5

About 3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one

3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 146512701) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID146512701
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cccc(C(C)(C)CC(C)n2cccc(C(C)(C)C)c2=O)c1=O
InChIInChI=1S/C23H34N2O2/c1-16(2)24-13-10-12-19(21(24)27)23(7,8)15-17(3)25-14-9-11-18(20(25)26)22(4,5)6/h9-14,16-17H,15H2,1-8H3
InChIKeyXBVSUMIALVYZCX-UHFFFAOYSA-N
XLogP4.82
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-Tert-butyl-3-[2-[(5-tert-butyl-2-oxo-1-pyridinyl)methyl]cyclopropyl]-1-(difluoromethyl)pyridin-2-one
CID 146228198
5-Tert-butyl-1-(difluoromethyl)-3-[2-[[5-(2-methylpentan-2-yl)-2-oxo-1-pyridinyl]methyl]cyclopropyl]pyridin-2-one
CID 155369948
5-Tert-butyl-1-(difluoromethyl)-3-[2-[(2-oxo-5-propan-2-yl-1-pyridinyl)methyl]cyclopropyl]pyridin-2-one
CID 156124260
1-[4-(1-Ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one
CID 178099278
1-(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)pyridin-2(1H)-one
CID 339625
1-Methyl-6-[3-(1-methyl-2-oxo-3-pyridinyl)propyl]pyridin-2-one
CID 9992661
1-Cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one
CID 58286885
1-(3,3-Dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one
CID 58513899
3-[4-(2-Oxo-3-propan-2-yl-1-pyridinyl)pentyl]-1-propan-2-ylpyridin-2-one
CID 132076823
5-[4-(4-Tert-butyl-2-oxo-1-pyridinyl)-2-methylbutan-2-yl]-1-methylpyridin-2-one
CID 134233435
3-[1-[2-(4-Tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one
CID 135127287
1-methyl-3-[1-[2-oxo-6-[1-(6-oxo-1-propan-2-yl-3-pyridinyl)propan-2-yl]-1H-pyridin-4-yl]propan-2-yl]pyridin-2-one
CID 137437954

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one (CID 146512701) is 3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cccc(C(C)(C)CC(C)n2cccc(C(C)(C)C)c2=O)c1=O.
What is the InChIKey of 3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is XBVSUMIALVYZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-16(2)24-13-10-12-19(21(24)27)23(7,8)15-17(3)25-14-9-11-18(20(25)26)22(4,5)6/h9-14,16-17H,15H2,1-8H3.
What are the key properties of 3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one?
3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 370.54 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-tert-butyl-2-oxo-1-pyridinyl)-2-methylpentan-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146512701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).