N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide

C13H13ClN4O — CID 104669063

IUPACN-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(N)c2)c(C)nn1
InChIInChI=1S/C13H13ClN4O/c1-7-5-10(8(2)18-17-7)13(19)16-9-3-4-11(14)12(15)6-9/h3-6H,15H2,1-2H3,(H,16,19)
InChIKeyPJZXKFIHGCDEQC-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.58
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide

N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104669063) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104669063
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC NameN-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(N)c2)c(C)nn1
InChIInChI=1S/C13H13ClN4O/c1-7-5-10(8(2)18-17-7)13(19)16-9-3-4-11(14)12(15)6-9/h3-6H,15H2,1-2H3,(H,16,19)
InChIKeyPJZXKFIHGCDEQC-UHFFFAOYSA-N
XLogP2.58
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.58
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-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668843
N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344575
N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 106912144
N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671138
2-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669902
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881040
N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669073
N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide
CID 107721355
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide
CID 107937325

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 104669063) is N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)c(N)c2)c(C)nn1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is PJZXKFIHGCDEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-7-5-10(8(2)18-17-7)13(19)16-9-3-4-11(14)12(15)6-9/h3-6H,15H2,1-2H3,(H,16,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104669063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).