4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide

C14H22N2O2 — CID 86207835

IUPAC4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)8-7-9(14(4,5)6)16-12(18)10(8)11(15)17/h7H,1-6H3,(H2,15,17)(H,16,18)
InChIKeyGBXWSPAVWPEWRI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.07
Rot. Bonds1

About 4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide

4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 86207835) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID86207835
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)8-7-9(14(4,5)6)16-12(18)10(8)11(15)17/h7H,1-6H3,(H2,15,17)(H,16,18)
InChIKeyGBXWSPAVWPEWRI-UHFFFAOYSA-N
XLogP2.07
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide (CID 86207835) is 4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide is CC(C)(C)c1cc(C(C)(C)C)c(C(N)=O)c(=O)[nH]1.
What is the InChIKey of 4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GBXWSPAVWPEWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-13(2,3)8-7-9(14(4,5)6)16-12(18)10(8)11(15)17/h7H,1-6H3,(H2,15,17)(H,16,18).
What are the key properties of 4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide?
4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86207835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).