N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide

C20H19N3O2 — CID 27666115

IUPACN-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-15-13-18(24)19(21-23(15)17-11-7-4-8-12-17)20(25)22(2)14-16-9-5-3-6-10-16/h3-13H,14H2,1-2H3
InChIKeySQPZVOJKAAJJOO-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.81
Rot. Bonds4

About N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 27666115) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID27666115
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-15-13-18(24)19(21-23(15)17-11-7-4-8-12-17)20(25)22(2)14-16-9-5-3-6-10-16/h3-13H,14H2,1-2H3
InChIKeySQPZVOJKAAJJOO-UHFFFAOYSA-N
XLogP2.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxopyridazine-3-carboxamide
CID 18114358
N-[(4-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55395584
N,6-dimethyl-4-oxo-1-phenyl-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 31796540
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
2-[methyl-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]propanoic acid
CID 119358300
1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]pyridazine-3-carboxamide
CID 24503369
1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 18114180
N-[(4-ethylphenyl)methyl]-N,6-dimethyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 46628189
N-[2-(3-chloroanilino)-2-oxoethyl]-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 33287591
N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55754908
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 18117326
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 27666115) is N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is SQPZVOJKAAJJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15-13-18(24)19(21-23(15)17-11-7-4-8-12-17)20(25)22(2)14-16-9-5-3-6-10-16/h3-13H,14H2,1-2H3.
What are the key properties of N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 27666115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).