N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide

C12H11BrN4O — CID 103881040

IUPACN-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)nc2)c(C)nn1
InChIInChI=1S/C12H11BrN4O/c1-7-5-10(8(2)17-16-7)12(18)15-9-3-4-11(13)14-6-9/h3-6H,1-2H3,(H,15,18)
InChIKeyDKDZCRTXZNJLRR-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.50
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide

N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 103881040) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID103881040
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC NameN-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)nc2)c(C)nn1
InChIInChI=1S/C12H11BrN4O/c1-7-5-10(8(2)17-16-7)12(18)15-9-3-4-11(13)14-6-9/h3-6H,1-2H3,(H,15,18)
InChIKeyDKDZCRTXZNJLRR-UHFFFAOYSA-N
XLogP2.50
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344575
2-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669902
N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671138
N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 106912144
N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548434
N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668843
N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394
N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670589
N-(5-bromo-4-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548436
2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide
CID 114051740
3,6-dimethyl-N-(1H-pyrazol-4-yl)pyridazine-4-carboxamide
CID 115875480
N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669063

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide (CID 103881040) is N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Br)nc2)c(C)nn1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is DKDZCRTXZNJLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-7-5-10(8(2)17-16-7)12(18)15-9-3-4-11(13)14-6-9/h3-6H,1-2H3,(H,15,18).
What are the key properties of N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 103881040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).