1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C21H20N4O2 — CID 55737990

IUPAC1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C21H20N4O2/c1-24(14-18-9-7-16(13-22)8-10-18)21(27)19-11-12-20(26)25(23-19)15-17-5-3-2-4-6-17/h2-10H,11-12,14-15H2,1H3
InChIKeyFVCZJLFXLKISNL-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.70
Rot. Bonds5

About 1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55737990) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55737990
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C21H20N4O2/c1-24(14-18-9-7-16(13-22)8-10-18)21(27)19-11-12-20(26)25(23-19)15-17-5-3-2-4-6-17/h2-10H,11-12,14-15H2,1H3
InChIKeyFVCZJLFXLKISNL-UHFFFAOYSA-N
XLogP2.70
TPSA76.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-bis[(4-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55771101
1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide
CID 55739731
1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 55771218
N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53498773
methyl 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-[(4-chlorophenyl)methyl]amino]acetate
CID 55802571
1-benzyl-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78883708
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55774149
1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56534094
1-benzyl-5-chloro-N-[(4-cyanophenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 39858414
N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167917657
1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55773246
1-benzyl-6-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 55894256

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55737990) is 1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1.
What is the InChIKey of 1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FVCZJLFXLKISNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-24(14-18-9-7-16(13-22)8-10-18)21(27)19-11-12-20(26)25(23-19)15-17-5-3-2-4-6-17/h2-10H,11-12,14-15H2,1H3.
What are the key properties of 1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55737990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).