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

C12H13N3O2 — CID 43397609

IUPACN-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)C2=NNC(=O)CC2)c1
InChIInChI=1S/C12H13N3O2/c1-8-3-2-4-9(7-8)13-12(17)10-5-6-11(16)15-14-10/h2-4,7H,5-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyLDIGABYRTZOMEK-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.20
Rot. Bonds2

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

N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43397609) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43397609
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)C2=NNC(=O)CC2)c1
InChIInChI=1S/C12H13N3O2/c1-8-3-2-4-9(7-8)13-12(17)10-5-6-11(16)15-14-10/h2-4,7H,5-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyLDIGABYRTZOMEK-UHFFFAOYSA-N
XLogP1.20
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467708
N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60730194
N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397568
6-oxo-N-(3-pyrrolidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934157
6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110667794
N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 46988892
N-(3-chloro-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4539970
N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113351750
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110668240
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
N-(5-methyl-1,2-oxazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43401158
N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 22107791

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43397609) is N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1cccc(NC(=O)C2=NNC(=O)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is LDIGABYRTZOMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-3-2-4-9(7-8)13-12(17)10-5-6-11(16)15-14-10/h2-4,7H,5-6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43397609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).