2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide

C23H24F2N6O3 — CID 155424848

IUPAC2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
SMILESC=NN(C)/C=C(\C)c1cc(Oc2ccc(NC(=O)N3CCC4(CC(F)(F)C4)C3=O)nc2)ccn1
InChIInChI=1S/C23H24F2N6O3/c1-15(12-30(3)26-2)18-10-16(6-8-27-18)34-17-4-5-19(28-11-17)29-21(33)31-9-7-22(20(31)32)13-23(24,25)14-22/h4-6,8,10-12H,2,7,9,13-14H2,1,3H3,(H,28,29,33)/b15-12+
InChIKeySWNMYLMMGJVSIG-NTCAYCPXSA-N
MW470.48 g/mol
LogP4.36
Rot. Bonds6

About 2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide

2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide (PubChem CID 155424848) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is 2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
PubChem CID155424848
Molecular FormulaC23H24F2N6O3
Molecular Weight470.48 g/mol
Exact Mass470.19
IUPAC Name2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
SMILESC=NN(C)/C=C(\C)c1cc(Oc2ccc(NC(=O)N3CCC4(CC(F)(F)C4)C3=O)nc2)ccn1
InChIInChI=1S/C23H24F2N6O3/c1-15(12-30(3)26-2)18-10-16(6-8-27-18)34-17-4-5-19(28-11-17)29-21(33)31-9-7-22(20(31)32)13-23(24,25)14-22/h4-6,8,10-12H,2,7,9,13-14H2,1,3H3,(H,28,29,33)/b15-12+
InChIKeySWNMYLMMGJVSIG-NTCAYCPXSA-N
XLogP4.36
TPSA100.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide with MolForge

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Related Compounds

N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-1,8-dioxo-2-azaspiro[4.4]nonane-2-carboxamide
CID 155424831
N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide
CID 146267815
8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 146267954
N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,7-dioxo-2-azaspiro[4.5]decane-2-carboxamide
CID 146268035
N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide
CID 146267952
3-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
CID 86268217
3-(4-fluorophenyl)-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
CID 90446506
3-ethyl-N-[5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
CID 86269649
4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide
CID 86274672
N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide
CID 147420460
8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide
CID 155351515
N-[6-ethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxamide
CID 139549480

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
The IUPAC name of 2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide (CID 155424848) is 2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide is C=NN(C)/C=C(\C)c1cc(Oc2ccc(NC(=O)N3CCC4(CC(F)(F)C4)C3=O)nc2)ccn1.
What is the InChIKey of 2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
The InChIKey is SWNMYLMMGJVSIG-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-15(12-30(3)26-2)18-10-16(6-8-27-18)34-17-4-5-19(28-11-17)29-21(33)31-9-7-22(20(31)32)13-23(24,25)14-22/h4-6,8,10-12H,2,7,9,13-14H2,1,3H3,(H,28,29,33)/b15-12+.
What are the key properties of 2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[5-[[2-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide is sourced from PubChem (CID 155424848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).