5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide

C11H16N2O2 — CID 91507608

IUPAC5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide
SMILESCC(C)(C)Cc1ccc(=O)n(C(N)=O)c1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)6-8-4-5-9(14)13(7-8)10(12)15/h4-5,7H,6H2,1-3H3,(H2,12,15)
InChIKeyMMXPKHSIWFLQME-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.36
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide

5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide (PubChem CID 91507608) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide
PubChem CID91507608
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide
SMILESCC(C)(C)Cc1ccc(=O)n(C(N)=O)c1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)6-8-4-5-9(14)13(7-8)10(12)15/h4-5,7H,6H2,1-3H3,(H2,12,15)
InChIKeyMMXPKHSIWFLQME-UHFFFAOYSA-N
XLogP1.36
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide (CID 91507608) is 5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide is CC(C)(C)Cc1ccc(=O)n(C(N)=O)c1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide?
The InChIKey is MMXPKHSIWFLQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)6-8-4-5-9(14)13(7-8)10(12)15/h4-5,7H,6H2,1-3H3,(H2,12,15).
What are the key properties of 5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide?
5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-oxopyridine-1-carboxamide is sourced from PubChem (CID 91507608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).