1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide

C16H19N3O2 — CID 78777843

IUPAC1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(=O)n(C)n1)c1ccc(C)cc1
InChIInChI=1S/C16H19N3O2/c1-4-13(12-7-5-11(2)6-8-12)17-16(21)14-9-10-15(20)19(3)18-14/h5-10,13H,4H2,1-3H3,(H,17,21)
InChIKeySLJLMYFMEAOFKN-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.97
Rot. Bonds4

About 1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide (PubChem CID 78777843) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
PubChem CID78777843
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(=O)n(C)n1)c1ccc(C)cc1
InChIInChI=1S/C16H19N3O2/c1-4-13(12-7-5-11(2)6-8-12)17-16(21)14-9-10-15(20)19(3)18-14/h5-10,13H,4H2,1-3H3,(H,17,21)
InChIKeySLJLMYFMEAOFKN-UHFFFAOYSA-N
XLogP1.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19279641
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065
(3S)-3-(4-methylphenyl)-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 95764713
3-(4-tert-butylphenyl)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 119209886
1-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35529711
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119052898
1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
CID 19494192
N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264563
3-(3,4-dimethoxyphenyl)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 45432925
N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide
CID 131929450

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide (CID 78777843) is 1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide is CCC(NC(=O)c1ccc(=O)n(C)n1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is SLJLMYFMEAOFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-13(12-7-5-11(2)6-8-12)17-16(21)14-9-10-15(20)19(3)18-14/h5-10,13H,4H2,1-3H3,(H,17,21).
What are the key properties of 1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 78777843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).