N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide

C12H12BrN5O — CID 104669265

IUPACN-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(N)cc2Br)c(C)nn1
InChIInChI=1S/C12H12BrN5O/c1-6-3-9(7(2)18-17-6)12(19)16-11-10(13)4-8(14)5-15-11/h3-5H,14H2,1-2H3,(H,15,16,19)
InChIKeyUBYIZRZTRMWOCM-UHFFFAOYSA-N
MW322.17 g/mol
LogP2.09
Rot. Bonds2

About N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide

N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104669265) has the molecular formula C12H12BrN5O and a molecular weight of 322.17 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104669265
Molecular FormulaC12H12BrN5O
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(N)cc2Br)c(C)nn1
InChIInChI=1S/C12H12BrN5O/c1-6-3-9(7(2)18-17-6)12(19)16-11-10(13)4-8(14)5-15-11/h3-5H,14H2,1-2H3,(H,15,16,19)
InChIKeyUBYIZRZTRMWOCM-UHFFFAOYSA-N
XLogP2.09
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-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

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide (CID 104669265) is N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ncc(N)cc2Br)c(C)nn1.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is UBYIZRZTRMWOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O/c1-6-3-9(7(2)18-17-6)12(19)16-11-10(13)4-8(14)5-15-11/h3-5H,14H2,1-2H3,(H,15,16,19).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 322.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104669265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).