N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide

C11H14ClN3O — CID 104672489

IUPACN-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
SMILESCN(CC1CC(Cl)C1)C(=O)c1ccnnc1
InChIInChI=1S/C11H14ClN3O/c1-15(7-8-4-10(12)5-8)11(16)9-2-3-13-14-6-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyPGIHUHNEPQJWNF-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.57
Rot. Bonds3

About N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide

N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide (PubChem CID 104672489) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
PubChem CID104672489
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
SMILESCN(CC1CC(Cl)C1)C(=O)c1ccnnc1
InChIInChI=1S/C11H14ClN3O/c1-15(7-8-4-10(12)5-8)11(16)9-2-3-13-14-6-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyPGIHUHNEPQJWNF-UHFFFAOYSA-N
XLogP1.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
CID 104671170
N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide
CID 105064491
3,5-dibromo-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 107974843
N-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671511
ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate
CID 112701078
N-[(3-bromocyclobutyl)methyl]-3-chloro-N-methylpyridine-4-carboxamide
CID 80673422
4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
CID 113296210
N-(2-bromo-3-methoxypropyl)-N-methylpyridazine-4-carboxamide
CID 104672547
2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 114025196
N-[(3-bromocyclobutyl)methyl]-5-chloro-N-methylpyridine-2-carboxamide
CID 80677048
N-[(3-bromocyclobutyl)methyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82878533
N-(cyclohexylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 39975112

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide (CID 104672489) is N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide is CN(CC1CC(Cl)C1)C(=O)c1ccnnc1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide?
The InChIKey is PGIHUHNEPQJWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-15(7-8-4-10(12)5-8)11(16)9-2-3-13-14-6-9/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide?
N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104672489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).