6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide

C18H21ClN4O — CID 170580579

IUPAC6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC2(c3cccc(Cl)c3)CC(C)C2)nn1
InChIInChI=1S/C18H21ClN4O/c1-12-9-18(10-12,13-4-3-5-14(19)8-13)11-21-16-7-6-15(22-23-16)17(24)20-2/h3-8,12H,9-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyJOQPRDSRUDIGRF-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.27
Rot. Bonds5

About 6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide

6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 170580579) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID170580579
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC2(c3cccc(Cl)c3)CC(C)C2)nn1
InChIInChI=1S/C18H21ClN4O/c1-12-9-18(10-12,13-4-3-5-14(19)8-13)11-21-16-7-6-15(22-23-16)17(24)20-2/h3-8,12H,9-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyJOQPRDSRUDIGRF-UHFFFAOYSA-N
XLogP3.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 133343744
6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 170580863
6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 170579044
6-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylpyridazine-3-carboxamide
CID 133339646
6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide
CID 133340200
N-(3-chlorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115247
N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide
CID 133313852
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842
6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133400022
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide (CID 170580579) is 6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCC2(c3cccc(Cl)c3)CC(C)C2)nn1.
What is the InChIKey of 6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is JOQPRDSRUDIGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-9-18(10-12,13-4-3-5-14(19)8-13)11-21-16-7-6-15(22-23-16)17(24)20-2/h3-8,12H,9-11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 170580579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).