N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide

C21H18F4N4O3 — CID 4784796

IUPACN-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1
InChIInChI=1S/C21H18F4N4O3/c22-12-11-13(23)19(25)20(18(12)24)29-17(30)6-5-15(27-29)21(31)26-14-3-1-2-4-16(14)28-7-9-32-10-8-28/h1-4,11H,5-10H2,(H,26,31)
InChIKeyLNZDSPQLHDSCMY-UHFFFAOYSA-N
MW450.39 g/mol
LogP3.20
Rot. Bonds4

About N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide

N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 4784796) has the molecular formula C21H18F4N4O3 and a molecular weight of 450.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID4784796
Molecular FormulaC21H18F4N4O3
Molecular Weight450.39 g/mol
Exact Mass450.13
IUPAC NameN-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1
InChIInChI=1S/C21H18F4N4O3/c22-12-11-13(23)19(25)20(18(12)24)29-17(30)6-5-15(27-29)21(31)26-14-3-1-2-4-16(14)28-7-9-32-10-8-28/h1-4,11H,5-10H2,(H,26,31)
InChIKeyLNZDSPQLHDSCMY-UHFFFAOYSA-N
XLogP3.20
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide (CID 4784796) is N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccccc1N1CCOCC1)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is LNZDSPQLHDSCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O3/c22-12-11-13(23)19(25)20(18(12)24)29-17(30)6-5-15(27-29)21(31)26-14-3-1-2-4-16(14)28-7-9-32-10-8-28/h1-4,11H,5-10H2,(H,26,31).
What are the key properties of N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide?
N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 450.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 4784796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).