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

C18H19N5O — CID 170580863

IUPAC6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC2(c3cccc(C#N)c3)CCC2)nn1
InChIInChI=1S/C18H19N5O/c1-20-17(24)15-6-7-16(23-22-15)21-12-18(8-3-9-18)14-5-2-4-13(10-14)11-19/h2,4-7,10H,3,8-9,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyMFNJVZKEJRZIPP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.24
Rot. Bonds5

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

6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 170580863) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID170580863
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC2(c3cccc(C#N)c3)CCC2)nn1
InChIInChI=1S/C18H19N5O/c1-20-17(24)15-6-7-16(23-22-15)21-12-18(8-3-9-18)14-5-2-4-13(10-14)11-19/h2,4-7,10H,3,8-9,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyMFNJVZKEJRZIPP-UHFFFAOYSA-N
XLogP2.24
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(3-methoxyphenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 170579044
6-[[1-(3-chlorophenyl)-3-methylcyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 170580579
6-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 133343744
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide
CID 133313852
6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133400022
6-(ethylamino)-N-(1-ethylcyclobutyl)pyridazine-3-carboxamide
CID 113489122
N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124566
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122382
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide
CID 55973953

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide (CID 170580863) is 6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCC2(c3cccc(C#N)c3)CCC2)nn1.
What is the InChIKey of 6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is MFNJVZKEJRZIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-20-17(24)15-6-7-16(23-22-15)21-12-18(8-3-9-18)14-5-2-4-13(10-14)11-19/h2,4-7,10H,3,8-9,12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide?
6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 170580863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).