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

C13H13BrN4O — CID 104670589

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Br)cc2C)c(C)nn1
InChIInChI=1S/C13H13BrN4O/c1-7-4-10(14)6-15-12(7)16-13(19)11-5-8(2)17-18-9(11)3/h4-6H,1-3H3,(H,15,16,19)
InChIKeyBQHMVSKIAJXKTL-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.81
Rot. Bonds2

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

N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104670589) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104670589
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Br)cc2C)c(C)nn1
InChIInChI=1S/C13H13BrN4O/c1-7-4-10(14)6-15-12(7)16-13(19)11-5-8(2)17-18-9(11)3/h4-6H,1-3H3,(H,15,16,19)
InChIKeyBQHMVSKIAJXKTL-UHFFFAOYSA-N
XLogP2.81
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669265
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydroxybenzamide
CID 113266660
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
N-(5-bromo-4-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548436
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648
N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 83166694
N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881040
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
N-(5-bromo-3-methyl-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 83170144
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
CID 83166414

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide (CID 104670589) is N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ncc(Br)cc2C)c(C)nn1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is BQHMVSKIAJXKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-7-4-10(14)6-15-12(7)16-13(19)11-5-8(2)17-18-9(11)3/h4-6H,1-3H3,(H,15,16,19).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104670589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).