N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide

C12H16N2O3 — CID 103337688

IUPACN-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H16N2O3/c1-12(2,3)10(16)7-14-11(17)8-6-13-5-4-9(8)15/h4-6H,7H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyRMFUDDLTSMDFSU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.72
Rot. Bonds3

About N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide

N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337688) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337688
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H16N2O3/c1-12(2,3)10(16)7-14-11(17)8-6-13-5-4-9(8)15/h4-6H,7H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyRMFUDDLTSMDFSU-UHFFFAOYSA-N
XLogP0.72
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide (CID 103337688) is N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide is CC(C)(C)C(=O)CNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RMFUDDLTSMDFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2,3)10(16)7-14-11(17)8-6-13-5-4-9(8)15/h4-6H,7H2,1-3H3,(H,13,15)(H,14,17).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).