N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H15N3O2 — CID 43397568

IUPACN-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H15N3O2/c1-8-4-3-5-9(2)12(8)14-13(18)10-6-7-11(17)16-15-10/h3-5H,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyYVOFXWOVAUCAHO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.51
Rot. Bonds2

About N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43397568) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43397568
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H15N3O2/c1-8-4-3-5-9(2)12(8)14-13(18)10-6-7-11(17)16-15-10/h3-5H,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyYVOFXWOVAUCAHO-UHFFFAOYSA-N
XLogP1.51
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113351750
[2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203173
N-(5-methyl-1,2-oxazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43401158
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60714240
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110668240
N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258347
N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103145646
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934176
6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110667794
6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43402110

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43397568) is N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1cccc(C)c1NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is YVOFXWOVAUCAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-4-3-5-9(2)12(8)14-13(18)10-6-7-11(17)16-15-10/h3-5H,6-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43397568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).