N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide

C12H18N2O3 — CID 122569893

IUPACN-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCOCC(C)(C)NC(=O)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C12H18N2O3/c1-8-5-9(6-10(15)13-8)11(16)14-12(2,3)7-17-4/h5-6H,7H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyNYAXEBNTICVUSF-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.84
Rot. Bonds4

About N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide

N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 122569893) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID122569893
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCOCC(C)(C)NC(=O)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C12H18N2O3/c1-8-5-9(6-10(15)13-8)11(16)14-12(2,3)7-17-4/h5-6H,7H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyNYAXEBNTICVUSF-UHFFFAOYSA-N
XLogP0.84
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide (CID 122569893) is N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide is COCC(C)(C)NC(=O)c1cc(C)[nH]c(=O)c1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is NYAXEBNTICVUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-5-9(6-10(15)13-8)11(16)14-12(2,3)7-17-4/h5-6H,7H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 122569893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).