3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide

C18H20F2N4O5 — CID 87562630

IUPAC3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide
SMILESCOC1C(=O)C(C(=O)N(C)OC)=NN=C1c1cc(F)c(N2CCOCC2)cc1F
InChIInChI=1S/C18H20F2N4O5/c1-23(28-3)18(26)15-16(25)17(27-2)14(21-22-15)10-8-12(20)13(9-11(10)19)24-4-6-29-7-5-24/h8-9,17H,4-7H2,1-3H3
InChIKeyFBXMKPUOTCYCBX-UHFFFAOYSA-N
MW410.38 g/mol
LogP0.56
Rot. Bonds5

About 3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide

3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide (PubChem CID 87562630) has the molecular formula C18H20F2N4O5 and a molecular weight of 410.38 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide
PubChem CID87562630
Molecular FormulaC18H20F2N4O5
Molecular Weight410.38 g/mol
Exact Mass410.14
IUPAC Name3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide
SMILESCOC1C(=O)C(C(=O)N(C)OC)=NN=C1c1cc(F)c(N2CCOCC2)cc1F
InChIInChI=1S/C18H20F2N4O5/c1-23(28-3)18(26)15-16(25)17(27-2)14(21-22-15)10-8-12(20)13(9-11(10)19)24-4-6-29-7-5-24/h8-9,17H,4-7H2,1-3H3
InChIKeyFBXMKPUOTCYCBX-UHFFFAOYSA-N
XLogP0.56
TPSA93.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3R,3aS)-8-fluoro-7-morpholin-4-yl-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-3-yl]methyl methanesulfonate
CID 156532552
1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide
CID 90745425
2-chloro-5-fluoro-4-morpholin-4-ylbenzoate
CID 3497323
5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one
CID 80759185
3-(4,5-difluoro-2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 115112637
tert-butyl N-(5-fluoro-4-morpholin-4-yl-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171736036
N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]-3-fluoro-4-morpholin-4-ylbenzenesulfonamide
CID 24831315
4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid
CID 122034245
tert-butyl 7-fluoro-8-(2-fluoro-4-methoxycarbonyl-5-morpholin-4-ylphenyl)-2,4-dihydro-1,3-benzoxazine-3-carboxylate
CID 168975411
methyl 2-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-morpholin-4-ylanilino]acetate
CID 66700410
3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125147298
N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxopyrrolidin-2-yl]methyl]acetamide
CID 141247804

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide?
The IUPAC name of 3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide (CID 87562630) is 3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide.
What is the SMILES notation for 3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide?
The canonical SMILES for 3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide is COC1C(=O)C(C(=O)N(C)OC)=NN=C1c1cc(F)c(N2CCOCC2)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide?
The InChIKey is FBXMKPUOTCYCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O5/c1-23(28-3)18(26)15-16(25)17(27-2)14(21-22-15)10-8-12(20)13(9-11(10)19)24-4-6-29-7-5-24/h8-9,17H,4-7H2,1-3H3.
What are the key properties of 3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide?
3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide has a molecular weight of 410.38 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide is sourced from PubChem (CID 87562630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).