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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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).