N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide

C13H11F2N3O2 — CID 90509652

IUPACN-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C13H11F2N3O2/c1-2-20-12-6-5-11(17-18-12)13(19)16-8-3-4-9(14)10(15)7-8/h3-7H,2H2,1H3,(H,16,19)
InChIKeyFCEJIORETYHIHA-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.41
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide

N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide (PubChem CID 90509652) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide
PubChem CID90509652
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC NameN-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C13H11F2N3O2/c1-2-20-12-6-5-11(17-18-12)13(19)16-8-3-4-9(14)10(15)7-8/h3-7H,2H2,1H3,(H,16,19)
InChIKeyFCEJIORETYHIHA-UHFFFAOYSA-N
XLogP2.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509536
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide
CID 109129455
6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109111535
5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109200045
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide
CID 90509597
N-(3,4-difluorophenyl)-5-(4-ethylanilino)pyridine-2-carboxamide
CID 109198480
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide
CID 90509701
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115325
N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide
CID 90509599

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide (CID 90509652) is N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide?
The InChIKey is FCEJIORETYHIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-2-20-12-6-5-11(17-18-12)13(19)16-8-3-4-9(14)10(15)7-8/h3-7H,2H2,1H3,(H,16,19).
What are the key properties of N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide has a molecular weight of 279.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide is sourced from PubChem (CID 90509652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).