4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide

C12H18N2O3 — CID 82723840

IUPAC4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NOC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-7-6-8(2)13-10(15)9(7)11(16)14-17-12(3,4)5/h6H,1-5H3,(H,13,15)(H,14,16)
InChIKeyUVCUKJKPIRBOOK-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.45
Rot. Bonds2

About 4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide

4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 82723840) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID82723840
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NOC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-7-6-8(2)13-10(15)9(7)11(16)14-17-12(3,4)5/h6H,1-5H3,(H,13,15)(H,14,16)
InChIKeyUVCUKJKPIRBOOK-UHFFFAOYSA-N
XLogP1.45
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide (CID 82723840) is 4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NOC(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UVCUKJKPIRBOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7-6-8(2)13-10(15)9(7)11(16)14-17-12(3,4)5/h6H,1-5H3,(H,13,15)(H,14,16).
What are the key properties of 4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide?
4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 82723840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).