6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide

C13H18N2O3 — CID 157332738

IUPAC6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C(=O)C(C)(C)C)n(C)c1=O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)10(16)9-7-6-8(11(17)14-4)12(18)15(9)5/h6-7H,1-5H3,(H,14,17)
InChIKeyQYCSNMCSWSXHRI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.97
Rot. Bonds2

About 6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide

6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 157332738) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID157332738
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C(=O)C(C)(C)C)n(C)c1=O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)10(16)9-7-6-8(11(17)14-4)12(18)15(9)5/h6-7H,1-5H3,(H,14,17)
InChIKeyQYCSNMCSWSXHRI-UHFFFAOYSA-N
XLogP0.97
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide (CID 157332738) is 6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide is CNC(=O)c1ccc(C(=O)C(C)(C)C)n(C)c1=O.
What is the InChIKey of 6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is QYCSNMCSWSXHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)10(16)9-7-6-8(11(17)14-4)12(18)15(9)5/h6-7H,1-5H3,(H,14,17).
What are the key properties of 6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide?
6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropanoyl)-N,1-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 157332738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).