N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide

C14H16N2O4 — CID 161271952

IUPACN-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(C)c1)C1CCC(=O)CC1=O
InChIInChI=1S/C14H16N2O4/c1-15-8-9(3-6-13(15)19)14(20)16(2)11-5-4-10(17)7-12(11)18/h3,6,8,11H,4-5,7H2,1-2H3
InChIKeyVDYAHWAKXLQWAU-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.15
Rot. Bonds2

About N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide

N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 161271952) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID161271952
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(C)c1)C1CCC(=O)CC1=O
InChIInChI=1S/C14H16N2O4/c1-15-8-9(3-6-13(15)19)14(20)16(2)11-5-4-10(17)7-12(11)18/h3,6,8,11H,4-5,7H2,1-2H3
InChIKeyVDYAHWAKXLQWAU-UHFFFAOYSA-N
XLogP0.15
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone
CID 22435245
5-methyl-1-(4-oxo-cyclohexyl)-1H-pyridin-2-one
CID 59541095
5-Ethyl-1-(4-oxocyclohexyl)pyridin-2-one
CID 90857128
4-(1-Hydroxy-3-oxoisoquinolin-2-yl)cyclohexane-1,3-dione
CID 91084054
Ethane;5-methyl-1-(4-oxocyclohexyl)pyridin-2-one
CID 144076576
(3E,4E)-1-(2,4-dioxocyclohexyl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 146263854
N-(2,4-dioxocyclohexyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 157724677
Methyl 1-(2,4-dioxocyclohexyl)-6-oxopyridine-3-carboxylate
CID 158710959
N,1-dimethyl-2-oxo-N-(4-oxocyclohexyl)pyridine-4-carboxamide
CID 108105217
N-methyl-6-oxo-N-(4-oxocyclohexyl)-1H-pyridine-3-carboxamide
CID 108113036
1-(2,4-Dioxocyclohexyl)-6-oxopyridine-3-carboxylic acid
CID 158530097

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide (CID 161271952) is N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide is CN(C(=O)c1ccc(=O)n(C)c1)C1CCC(=O)CC1=O.
What is the InChIKey of N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is VDYAHWAKXLQWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-15-8-9(3-6-13(15)19)14(20)16(2)11-5-4-10(17)7-12(11)18/h3,6,8,11H,4-5,7H2,1-2H3.
What are the key properties of N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 161271952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).