N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide

C19H15F2N5O2 — CID 123670569

IUPACN-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESCCC(=NOc1cccnn1)c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C19H15F2N5O2/c1-2-15(26-28-17-7-4-10-23-25-17)12-8-9-16(22-11-12)24-19(27)18-13(20)5-3-6-14(18)21/h3-11H,2H2,1H3,(H,22,24,27)
InChIKeyYAYCDWKFLMZKSG-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.60
Rot. Bonds6

About N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide

N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 123670569) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID123670569
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC NameN-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESCCC(=NOc1cccnn1)c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C19H15F2N5O2/c1-2-15(26-28-17-7-4-10-23-25-17)12-8-9-16(22-11-12)24-19(27)18-13(20)5-3-6-14(18)21/h3-11H,2H2,1H3,(H,22,24,27)
InChIKeyYAYCDWKFLMZKSG-UHFFFAOYSA-N
XLogP3.60
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(Z)-C-ethyl-N-pyrazin-2-yloxycarbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 89156315
N-[5-[N-[(2-cyano-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 123314243
N-[5-[(Z)-C-ethyl-N-[(6-isocyano-3-pyridinyl)oxy]carbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 123593080
N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 123575522
6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide
CID 53406980
N-[5-[(Z)-N-[(3,5-difluoro-2-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 89156183
N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide
CID 154240984
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
N-[5-[(E)-C-ethyl-N-[(2E,4Z)-2-methyl-5-(methylideneamino)penta-2,4-dienoxy]carbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 130319195
2,6-difluoro-N-[5-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-2-pyridinyl]benzamide
CID 58487449
2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide
CID 86794505
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589

Frequently Asked Questions

What is the IUPAC name of N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide (CID 123670569) is N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide is CCC(=NOc1cccnn1)c1ccc(NC(=O)c2c(F)cccc2F)nc1.
What is the InChIKey of N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is YAYCDWKFLMZKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-2-15(26-28-17-7-4-10-23-25-17)12-8-9-16(22-11-12)24-19(27)18-13(20)5-3-6-14(18)21/h3-11H,2H2,1H3,(H,22,24,27).
What are the key properties of N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide?
N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 383.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 123670569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).