N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide

C12H10IN3O — CID 102424758

IUPACN-(2-iodophenyl)-N-methylpyridazine-4-carboxamide
SMILESCN(C(=O)c1ccnnc1)c1ccccc1I
InChIInChI=1S/C12H10IN3O/c1-16(11-5-3-2-4-10(11)13)12(17)9-6-7-14-15-8-9/h2-8H,1H3
InChIKeyZWDDWIFMKXWYTP-UHFFFAOYSA-N
MW339.14 g/mol
LogP2.36
Rot. Bonds2

About N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide

N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide (PubChem CID 102424758) has the molecular formula C12H10IN3O and a molecular weight of 339.14 g/mol. Its IUPAC name is N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-N-methylpyridazine-4-carboxamide
PubChem CID102424758
Molecular FormulaC12H10IN3O
Molecular Weight339.14 g/mol
Exact Mass338.99
IUPAC NameN-(2-iodophenyl)-N-methylpyridazine-4-carboxamide
SMILESCN(C(=O)c1ccnnc1)c1ccccc1I
InChIInChI=1S/C12H10IN3O/c1-16(11-5-3-2-4-10(11)13)12(17)9-6-7-14-15-8-9/h2-8H,1H3
InChIKeyZWDDWIFMKXWYTP-UHFFFAOYSA-N
XLogP2.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-N-methylpyridazine-4-carboxamide
CID 104670312
N-(2-iodophenyl)-N-methylpropanamide
CID 15063897
N-(2-iodophenyl)-N,2-dimethylpropanamide
CID 11483497
N-(2-iodophenyl)-N-methylbut-2-enamide
CID 71427482
N-(2-iodophenyl)-N-methyl-2-phenylprop-2-enamide
CID 122384711
N-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671511
4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one
CID 123292809
1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539383
2-(2-methylphenyl)-1-pyridazin-4-ylethanone
CID 105079516
N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
CID 104671170
N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
CID 104672489
ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate
CID 112701078

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide?
The IUPAC name of N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide (CID 102424758) is N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide is CN(C(=O)c1ccnnc1)c1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide?
The InChIKey is ZWDDWIFMKXWYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3O/c1-16(11-5-3-2-4-10(11)13)12(17)9-6-7-14-15-8-9/h2-8H,1H3.
What are the key properties of N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide?
N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide has a molecular weight of 339.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 102424758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).