1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide

C17H21N3O2 — CID 134058913

IUPAC1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C17H21N3O2/c1-13(2)11-19(3)17(22)15-9-10-16(21)20(18-15)12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyLDAQYLBVJWYVRR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.02
Rot. Bonds5

About 1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide (PubChem CID 134058913) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
PubChem CID134058913
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C17H21N3O2/c1-13(2)11-19(3)17(22)15-9-10-16(21)20(18-15)12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyLDAQYLBVJWYVRR-UHFFFAOYSA-N
XLogP2.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 111695210
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-N-(1,1-difluoropropan-2-yl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 166303082
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
(2R)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364680
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 51143596
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190
1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 31795511
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide (CID 134058913) is 1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide is CC(C)CN(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is LDAQYLBVJWYVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(2)11-19(3)17(22)15-9-10-16(21)20(18-15)12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 134058913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).