6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide

C18H22N4O2 — CID 170579044

IUPAC6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC2(c3cccc(OC)c3)CCC2)nn1
InChIInChI=1S/C18H22N4O2/c1-19-17(23)15-7-8-16(22-21-15)20-12-18(9-4-10-18)13-5-3-6-14(11-13)24-2/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyQBYHESJVWNUOBB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.38
Rot. Bonds6

About 6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide

6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 170579044) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID170579044
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC2(c3cccc(OC)c3)CCC2)nn1
InChIInChI=1S/C18H22N4O2/c1-19-17(23)15-7-8-16(22-21-15)20-12-18(9-4-10-18)13-5-3-6-14(11-13)24-2/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyQBYHESJVWNUOBB-UHFFFAOYSA-N
XLogP2.38
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 170580863
6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 133343744
6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 170580579
6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133400022
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751
N-(3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042566
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
3-amino-4-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]cyclobut-3-ene-1,2-dione
CID 167876645
1-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 111109756
N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide
CID 133313852
6-hydrazinyl-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 55051032
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide (CID 170579044) is 6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCC2(c3cccc(OC)c3)CCC2)nn1.
What is the InChIKey of 6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is QBYHESJVWNUOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-19-17(23)15-7-8-16(22-21-15)20-12-18(9-4-10-18)13-5-3-6-14(11-13)24-2/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 170579044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).