1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H19N3O2 — CID 24547280

IUPAC1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccccc1CCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H19N3O2/c1-11-5-3-4-6-12(11)9-10-16-15(20)13-7-8-14(19)18(2)17-13/h3-6H,7-10H2,1-2H3,(H,16,20)
InChIKeyPQZPHITWLCZYFL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.26
Rot. Bonds4

About 1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24547280) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID24547280
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccccc1CCNC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H19N3O2/c1-11-5-3-4-6-12(11)9-10-16-15(20)13-7-8-14(19)18(2)17-13/h3-6H,7-10H2,1-2H3,(H,16,20)
InChIKeyPQZPHITWLCZYFL-UHFFFAOYSA-N
XLogP1.26
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51970268
1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24628335
1-methyl-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 47014189
N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46516631
1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide
CID 30384665
3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 43170671
1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 48735006
N-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24553318
1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24586575
1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24552976
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47043186

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 24547280) is 1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccccc1CCNC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is PQZPHITWLCZYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-5-3-4-6-12(11)9-10-16-15(20)13-7-8-14(19)18(2)17-13/h3-6H,7-10H2,1-2H3,(H,16,20).
What are the key properties of 1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24547280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).