N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C20H19N3O2 — CID 31899986

IUPACN-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-15-8-6-7-9-16(15)14-22(2)20(25)18-12-13-19(24)23(21-18)17-10-4-3-5-11-17/h3-13H,14H2,1-2H3
InChIKeyFJNPEYXMIKCUEJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.81
Rot. Bonds4

About N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 31899986) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID31899986
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-15-8-6-7-9-16(15)14-22(2)20(25)18-12-13-19(24)23(21-18)17-10-4-3-5-11-17/h3-13H,14H2,1-2H3
InChIKeyFJNPEYXMIKCUEJ-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

N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31883996
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 78852401
N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 18114006
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 166181653
N-methyl-6-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-phenylpyridazine-3-carboxamide
CID 137287046
N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 56817769
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053
N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 86859455
N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9379054
N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31903731

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 31899986) is N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide is Cc1ccccc1CN(C)C(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is FJNPEYXMIKCUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15-8-6-7-9-16(15)14-22(2)20(25)18-12-13-19(24)23(21-18)17-10-4-3-5-11-17/h3-13H,14H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-methyl-N-[(2-methylphenyl)methyl]-6-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-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 31899986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).