N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide

C22H19F2N3O2 — CID 55583089

IUPACN-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(Cc2cccc(F)c2)C2CC2)nn1-c1ccccc1F
InChIInChI=1S/C22H19F2N3O2/c1-14-11-20(28)21(25-27(14)19-8-3-2-7-18(19)24)22(29)26(17-9-10-17)13-15-5-4-6-16(23)12-15/h2-8,11-12,17H,9-10,13H2,1H3
InChIKeyMZRUFNDXOZRPFP-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.62
Rot. Bonds5

About N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide

N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 55583089) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID55583089
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC NameN-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(Cc2cccc(F)c2)C2CC2)nn1-c1ccccc1F
InChIInChI=1S/C22H19F2N3O2/c1-14-11-20(28)21(25-27(14)19-8-3-2-7-18(19)24)22(29)26(17-9-10-17)13-15-5-4-6-16(23)12-15/h2-8,11-12,17H,9-10,13H2,1H3
InChIKeyMZRUFNDXOZRPFP-UHFFFAOYSA-N
XLogP3.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-cyclopropyl-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 38252656
1-(2-fluorophenyl)-N,6-dimethyl-N-(4-methylcyclohexyl)-4-oxopyridazine-3-carboxamide
CID 47014577
N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 55651081
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55414588
N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112817204
N-[2-(3-fluoroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 27794933
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 110886119
N-[(2,4-dimethylphenyl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18117120
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide
CID 110887162
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9291779
1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 24551624
N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 32637022

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide (CID 55583089) is N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N(Cc2cccc(F)c2)C2CC2)nn1-c1ccccc1F.
What is the InChIKey of N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is MZRUFNDXOZRPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-14-11-20(28)21(25-27(14)19-8-3-2-7-18(19)24)22(29)26(17-9-10-17)13-15-5-4-6-16(23)12-15/h2-8,11-12,17H,9-10,13H2,1H3.
What are the key properties of N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide?
N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55583089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).