N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C14H22BrN3O — CID 107847967

IUPACN-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCCCCCCBr
InChIInChI=1S/C14H22BrN3O/c1-3-13-12(10-11(2)17-18-13)14(19)16-9-7-5-4-6-8-15/h10H,3-9H2,1-2H3,(H,16,19)
InChIKeyABGWUFSYNFXULC-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.03
Rot. Bonds8

About N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 107847967) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID107847967
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC NameN-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCCCCCCBr
InChIInChI=1S/C14H22BrN3O/c1-3-13-12(10-11(2)17-18-13)14(19)16-9-7-5-4-6-8-15/h10H,3-9H2,1-2H3,(H,16,19)
InChIKeyABGWUFSYNFXULC-UHFFFAOYSA-N
XLogP3.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113439081
N-(6-chlorohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847354
N-(3-chloropropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670847
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
N-(4-bromopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106131553
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106122559
N-[[4-(bromomethyl)phenyl]methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107233817
N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104672507
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 104669767

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 107847967) is N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NCCCCCCBr.
What is the InChIKey of N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is ABGWUFSYNFXULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-3-13-12(10-11(2)17-18-13)14(19)16-9-7-5-4-6-8-15/h10H,3-9H2,1-2H3,(H,16,19).
What are the key properties of N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 107847967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).