N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C13H14BrN5O — CID 104669267

IUPACN-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C13H14BrN5O/c1-3-11-9(4-7(2)18-19-11)13(20)17-12-10(14)5-8(15)6-16-12/h4-6H,3,15H2,1-2H3,(H,16,17,20)
InChIKeyXJGIEBQOKUNYHA-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.34
Rot. Bonds3

About N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104669267) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104669267
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C13H14BrN5O/c1-3-11-9(4-7(2)18-19-11)13(20)17-12-10(14)5-8(15)6-16-12/h4-6H,3,15H2,1-2H3,(H,16,17,20)
InChIKeyXJGIEBQOKUNYHA-UHFFFAOYSA-N
XLogP2.34
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-3-bromo-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669265
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104757159
N-(4-amino-2-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669043
N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624513
N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
CID 107937535
N-(5-amino-3-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79985523
N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669073
N-(3-amino-2,6-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669076
6-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 104669549
N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623754
N-(6-bromo-2-methyl-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625308

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104669267) is N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ncc(N)cc1Br.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is XJGIEBQOKUNYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c1-3-11-9(4-7(2)18-19-11)13(20)17-12-10(14)5-8(15)6-16-12/h4-6H,3,15H2,1-2H3,(H,16,17,20).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.34, 3 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-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104669267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).