N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide

C13H14N4O — CID 104669075

IUPACN-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
SMILESCc1ccc(N)c(C)c1NC(=O)c1ccnnc1
InChIInChI=1S/C13H14N4O/c1-8-3-4-11(14)9(2)12(8)17-13(18)10-5-6-15-16-7-10/h3-7H,14H2,1-2H3,(H,17,18)
InChIKeyKLVNYMIGXXBZIJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.93
Rot. Bonds2

About N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide

N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide (PubChem CID 104669075) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
PubChem CID104669075
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
SMILESCc1ccc(N)c(C)c1NC(=O)c1ccnnc1
InChIInChI=1S/C13H14N4O/c1-8-3-4-11(14)9(2)12(8)17-13(18)10-5-6-15-16-7-10/h3-7H,14H2,1-2H3,(H,17,18)
InChIKeyKLVNYMIGXXBZIJ-UHFFFAOYSA-N
XLogP1.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,6-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 24705702
N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide
CID 106752359
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 65216363
N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
CID 113456213
N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
CID 113439119
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950848
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
N-(3-amino-2,6-dimethylphenyl)-5-bromopyridine-2-carboxamide
CID 62958756
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 28776911

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide (CID 104669075) is N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide is Cc1ccc(N)c(C)c1NC(=O)c1ccnnc1.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide?
The InChIKey is KLVNYMIGXXBZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-3-4-11(14)9(2)12(8)17-13(18)10-5-6-15-16-7-10/h3-7H,14H2,1-2H3,(H,17,18).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide?
N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 104669075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).