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

C14H15BrN4O — CID 104624513

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C14H15BrN4O/c1-4-12-10(7-8(2)18-19-12)14(20)17-13-6-5-11(15)9(3)16-13/h5-7H,4H2,1-3H3,(H,16,17,20)
InChIKeyFTFHIWHBIOJVDK-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.07
Rot. Bonds3

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

N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104624513) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104624513
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C14H15BrN4O/c1-4-12-10(7-8(2)18-19-12)14(20)17-13-6-5-11(15)9(3)16-13/h5-7H,4H2,1-3H3,(H,16,17,20)
InChIKeyFTFHIWHBIOJVDK-UHFFFAOYSA-N
XLogP3.07
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625308
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330
6-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 104669549
3-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-6-methylpyridazine-4-carboxamide
CID 104625834
N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624333
N-(4-amino-2-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669043
N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669267
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104624513) is N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ccc(Br)c(C)n1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is FTFHIWHBIOJVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-4-12-10(7-8(2)18-19-12)14(20)17-13-6-5-11(15)9(3)16-13/h5-7H,4H2,1-3H3,(H,16,17,20).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104624513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).