N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide

C18H15N3O2 — CID 31853823

IUPACN-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1
InChIInChI=1S/C18H15N3O2/c1-13-6-5-7-14(12-13)19-18(23)16-10-11-17(22)21(20-16)15-8-3-2-4-9-15/h2-12H,1H3,(H,19,23)
InChIKeyLXSOYSDNLSYSEY-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.79
Rot. Bonds3

About N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide

N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 31853823) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID31853823
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1
InChIInChI=1S/C18H15N3O2/c1-13-6-5-7-14(12-13)19-18(23)16-10-11-17(22)21(20-16)15-8-3-2-4-9-15/h2-12H,1H3,(H,19,23)
InChIKeyLXSOYSDNLSYSEY-UHFFFAOYSA-N
XLogP2.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188
6-oxo-1-phenyl-N-(3-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
CID 55766207
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
N-(5-methyl-1,2-oxazol-3-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31979037
N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169689
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide
CID 46323783
N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31903731
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55657959
1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 24677650
N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 37401680
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55797255

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide (CID 31853823) is N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is LXSOYSDNLSYSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-13-6-5-7-14(12-13)19-18(23)16-10-11-17(22)21(20-16)15-8-3-2-4-9-15/h2-12H,1H3,(H,19,23).
What are the key properties of N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide?
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 31853823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).