N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide

C11H16ClN3O — CID 106354809

IUPACN-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1ccnnc1
InChIInChI=1S/C11H16ClN3O/c1-8(2)10(3-5-12)15-11(16)9-4-6-13-14-7-9/h4,6-8,10H,3,5H2,1-2H3,(H,15,16)
InChIKeyQWIGDKVSBNHODV-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.86
Rot. Bonds5

About N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide

N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide (PubChem CID 106354809) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide
PubChem CID106354809
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1ccnnc1
InChIInChI=1S/C11H16ClN3O/c1-8(2)10(3-5-12)15-11(16)9-4-6-13-14-7-9/h4,6-8,10H,3,5H2,1-2H3,(H,15,16)
InChIKeyQWIGDKVSBNHODV-UHFFFAOYSA-N
XLogP1.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloropropan-2-yl)pyridazine-4-carboxamide
CID 104672603
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
N-(4-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104668958
N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide
CID 106354926
N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide
CID 114177682
N-(1-chloro-4-methylpentan-3-yl)-3,4-dihydroxybenzamide
CID 106354668
N-(1-chloro-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 114177722
N-(1-chloro-4-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 106354813
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-4-iodobenzamide
CID 106354755
pyridazine-4-carbohydrazide;hydrochloride
CID 122236542
N-(4-chlorobutan-2-yl)pyridine-4-carboxamide
CID 83178432
N-(2-hydroxy-3-methylbutyl)pyridazine-4-carboxamide
CID 115769407

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide (CID 106354809) is N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide is CC(C)C(CCCl)NC(=O)c1ccnnc1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide?
The InChIKey is QWIGDKVSBNHODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(2)10(3-5-12)15-11(16)9-4-6-13-14-7-9/h4,6-8,10H,3,5H2,1-2H3,(H,15,16).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide?
N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 106354809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).