1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide

C20H25N3O2 — CID 51287190

IUPAC1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)C1CCCCCC1
InChIInChI=1S/C20H25N3O2/c1-22(17-11-7-2-3-8-12-17)20(25)18-13-14-19(24)23(21-18)15-16-9-5-4-6-10-16/h4-6,9-10,13-14,17H,2-3,7-8,11-12,15H2,1H3
InChIKeyVAQQEJDEJZQFDN-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.09
Rot. Bonds4

About 1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide

1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 51287190) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID51287190
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)C1CCCCCC1
InChIInChI=1S/C20H25N3O2/c1-22(17-11-7-2-3-8-12-17)20(25)18-13-14-19(24)23(21-18)15-16-9-5-4-6-10-16/h4-6,9-10,13-14,17H,2-3,7-8,11-12,15H2,1H3
InChIKeyVAQQEJDEJZQFDN-UHFFFAOYSA-N
XLogP3.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide
CID 55469052
1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 111695210
1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 134058913
2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 51145418
1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
CID 111426248
1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide
CID 38857490
N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide
CID 52574448
1-benzyl-N-(1,1-difluoropropan-2-yl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 166303082
1-benzyl-6-oxo-N-propyl-N-pyrrolidin-3-ylpyridazine-3-carboxamide
CID 119532868
N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide
CID 119612211
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 47089546

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide (CID 51287190) is 1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide is CN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)C1CCCCCC1.
What is the InChIKey of 1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is VAQQEJDEJZQFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(17-11-7-2-3-8-12-17)20(25)18-13-14-19(24)23(21-18)15-16-9-5-4-6-10-16/h4-6,9-10,13-14,17H,2-3,7-8,11-12,15H2,1H3.
What are the key properties of 1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide?
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51287190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).