N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide

C13H17N3O3 — CID 90207927

IUPACN-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide
SMILESCC1=C(C#N)C(=O)N(N(C)C(=O)C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H17N3O3/c1-8-6-10(17)16(11(18)9(8)7-14)15(5)12(19)13(2,3)4/h6H2,1-5H3
InChIKeyNYZZRXURRZTDEV-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.00
Rot. Bonds1

About N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide

N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide (PubChem CID 90207927) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide
PubChem CID90207927
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide
SMILESCC1=C(C#N)C(=O)N(N(C)C(=O)C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H17N3O3/c1-8-6-10(17)16(11(18)9(8)7-14)15(5)12(19)13(2,3)4/h6H2,1-5H3
InChIKeyNYZZRXURRZTDEV-UHFFFAOYSA-N
XLogP1.00
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide (CID 90207927) is N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide is CC1=C(C#N)C(=O)N(N(C)C(=O)C(C)(C)C)C(=O)C1.
What is the InChIKey of N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide?
The InChIKey is NYZZRXURRZTDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-6-10(17)16(11(18)9(8)7-14)15(5)12(19)13(2,3)4/h6H2,1-5H3.
What are the key properties of N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide?
N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide has a molecular weight of 263.30 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 90207927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).