1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

C19H21N3O3 — CID 126648780

IUPAC1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C19H21N3O3/c1-20-18(24)16-10-14(17(23)21-15-8-5-9-15)12-22(19(16)25)11-13-6-3-2-4-7-13/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyUFOYJMJEYHTFLH-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.54
Rot. Bonds5

About 1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126648780) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
PubChem CID126648780
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C19H21N3O3/c1-20-18(24)16-10-14(17(23)21-15-8-5-9-15)12-22(19(16)25)11-13-6-3-2-4-7-13/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyUFOYJMJEYHTFLH-UHFFFAOYSA-N
XLogP1.54
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

n,n'-Dibenzylmalonamide
CID 735256
1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 48157449
1-Benzyl-N5-cyclopropyl-N3-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide
CID 126648559
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3,5-dicarboxamide
CID 126676281
1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 11153626
(2E)-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 5720182
N,1-dibenzyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 571691
N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 71660103
CB1/2 agonist 1
CID 162654853
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide
CID 162664878
2-butyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4437021
3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
CID 4786488

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (CID 126648780) is 1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is UFOYJMJEYHTFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-20-18(24)16-10-14(17(23)21-15-8-5-9-15)12-22(19(16)25)11-13-6-3-2-4-7-13/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126648780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).