N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide

C58H60N12O14 — CID 159646417

IUPACN-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide
SMILESCC(=O)N(C(=O)C(C)(C)C)N1C(=O)CC(C)=C(C#N)C1=O.CC(=O)N(C(=O)c1ccccc1)N1C(=O)CC(C)=C(C#N)C1=O.CC1=C(C#N)C(=O)N(N(C)C(=O)C(C)(C)C)C(=O)C1.CC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C16H13N3O4.C15H13N3O3.C14H17N3O4.C13H17N3O3/c1-10-8-14(21)19(16(23)13(10)9-17)18(11(2)20)15(22)12-6-4-3-5-7-12;1-10-8-13(19)18(15(21)12(10)9-16)17(2)14(20)11-6-4-3-5-7-11;1-8-6-11(19)17(12(20)10(8)7-15)16(9(2)18)13(21)14(3,4)5;1-8-6-10(17)16(11(18)9(8)7-14)15(5)12(19)13(2,3)4/h3-7H,8H2,1-2H3;3-7H,8H2,1-2H3;6H2,1-5H3;6H2,1-5H3
InChIKeyMRABKEDMXROQQE-UHFFFAOYSA-N
MW1149.19 g/mol
LogP4.39
Rot. Bonds6

About N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide

N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide (PubChem CID 159646417) has the molecular formula C58H60N12O14 and a molecular weight of 1149.19 g/mol. Its IUPAC name is N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide
PubChem CID159646417
Molecular FormulaC58H60N12O14
Molecular Weight1149.19 g/mol
Exact Mass1148.44
IUPAC NameN-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide
SMILESCC(=O)N(C(=O)C(C)(C)C)N1C(=O)CC(C)=C(C#N)C1=O.CC(=O)N(C(=O)c1ccccc1)N1C(=O)CC(C)=C(C#N)C1=O.CC1=C(C#N)C(=O)N(N(C)C(=O)C(C)(C)C)C(=O)C1.CC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C16H13N3O4.C15H13N3O3.C14H17N3O4.C13H17N3O3/c1-10-8-14(21)19(16(23)13(10)9-17)18(11(2)20)15(22)12-6-4-3-5-7-12;1-10-8-13(19)18(15(21)12(10)9-16)17(2)14(20)11-6-4-3-5-7-11;1-8-6-11(19)17(12(20)10(8)7-15)16(9(2)18)13(21)14(3,4)5;1-8-6-10(17)16(11(18)9(8)7-14)15(5)12(19)13(2,3)4/h3-7H,8H2,1-2H3;3-7H,8H2,1-2H3;6H2,1-5H3;6H2,1-5H3
InChIKeyMRABKEDMXROQQE-UHFFFAOYSA-N
XLogP4.39
TPSA360.06 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.19
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide (CID 159646417) is N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide is CC(=O)N(C(=O)C(C)(C)C)N1C(=O)CC(C)=C(C#N)C1=O.CC(=O)N(C(=O)c1ccccc1)N1C(=O)CC(C)=C(C#N)C1=O.CC1=C(C#N)C(=O)N(N(C)C(=O)C(C)(C)C)C(=O)C1.CC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1.
What is the InChIKey of N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide?
The InChIKey is MRABKEDMXROQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4.C15H13N3O3.C14H17N3O4.C13H17N3O3/c1-10-8-14(21)19(16(23)13(10)9-17)18(11(2)20)15(22)12-6-4-3-5-7-12;1-10-8-13(19)18(15(21)12(10)9-16)17(2)14(20)11-6-4-3-5-7-11;1-8-6-11(19)17(12(20)10(8)7-15)16(9(2)18)13(21)14(3,4)5;1-8-6-10(17)16(11(18)9(8)7-14)15(5)12(19)13(2,3)4/h3-7H,8H2,1-2H3;3-7H,8H2,1-2H3;6H2,1-5H3;6H2,1-5H3.
What are the key properties of N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide?
N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide has a molecular weight of 1149.19 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)benzamide;N-acetyl-N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-2,2-dimethylpropanamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N-methylbenzamide;N-(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-1-yl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 159646417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).