N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H13N3O2 — CID 33277905

IUPACN-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C13H13N3O2/c1-9-3-2-4-10(7-9)8-14-13(18)11-5-6-12(17)16-15-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyKVBJQRWJVDEMGX-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.01
Rot. Bonds3

About N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 33277905) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID33277905
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C13H13N3O2/c1-9-3-2-4-10(7-9)8-14-13(18)11-5-6-12(17)16-15-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17)
InChIKeyKVBJQRWJVDEMGX-UHFFFAOYSA-N
XLogP1.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 54944517
N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746244
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793511
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488
N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38637755
N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide
CID 75370700
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 33277905) is N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1cccc(CNC(=O)c2ccc(=O)[nH]n2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is KVBJQRWJVDEMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-3-2-4-10(7-9)8-14-13(18)11-5-6-12(17)16-15-11/h2-7H,8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 33277905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).