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

C13H18N2O3 — CID 125491223

IUPAC6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-15-12(17)9-6-7-10(8-4-5-8)14-11(9)16/h6-8H,4-5H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyVKDCEDRQYWIKES-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.71
Rot. Bonds3

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

6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125491223) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125491223
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-15-12(17)9-6-7-10(8-4-5-8)14-11(9)16/h6-8H,4-5H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyVKDCEDRQYWIKES-UHFFFAOYSA-N
XLogP1.71
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.71
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 6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide (CID 125491223) is 6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide is CC(C)(C)ONC(=O)c1ccc(C2CC2)[nH]c1=O.
What is the InChIKey of 6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VKDCEDRQYWIKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)18-15-12(17)9-6-7-10(8-4-5-8)14-11(9)16/h6-8H,4-5H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide?
6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).