N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide

C12H11ClN4O — CID 113439119

IUPACN-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ccnnc1
InChIInChI=1S/C12H11ClN4O/c1-7-4-10(14)9(13)5-11(7)17-12(18)8-2-3-15-16-6-8/h2-6H,14H2,1H3,(H,17,18)
InChIKeyRDANZFIMXSZRMS-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.27
Rot. Bonds2

About N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide

N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide (PubChem CID 113439119) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
PubChem CID113439119
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ccnnc1
InChIInChI=1S/C12H11ClN4O/c1-7-4-10(14)9(13)5-11(7)17-12(18)8-2-3-15-16-6-8/h2-6H,14H2,1H3,(H,17,18)
InChIKeyRDANZFIMXSZRMS-UHFFFAOYSA-N
XLogP2.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-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-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
CID 113456213
N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 104667498
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 104667397
N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
CID 104669075
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide
CID 103144520

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide (CID 113439119) is N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide is Cc1cc(N)c(Cl)cc1NC(=O)c1ccnnc1.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide?
The InChIKey is RDANZFIMXSZRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-7-4-10(14)9(13)5-11(7)17-12(18)8-2-3-15-16-6-8/h2-6H,14H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide?
N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 113439119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).