N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide

C20H18F2N4O2 — CID 109122508

IUPACN-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)cc1
InChIInChI=1S/C20H18F2N4O2/c1-28-15-5-2-13(3-6-15)10-11-23-19-9-8-18(25-26-19)20(27)24-14-4-7-16(21)17(22)12-14/h2-9,12H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyGLJHAPAPAZAOCB-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.67
Rot. Bonds7

About N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide

N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109122508) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109122508
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)cc1
InChIInChI=1S/C20H18F2N4O2/c1-28-15-5-2-13(3-6-15)10-11-23-19-9-8-18(25-26-19)20(27)24-14-4-7-16(21)17(22)12-14/h2-9,12H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyGLJHAPAPAZAOCB-UHFFFAOYSA-N
XLogP3.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109122465
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122480
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122089
N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115325
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122361
methyl 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122119
N-(4-ethylphenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122354
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232
methyl 3-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122118
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (CID 109122508) is N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is COc1ccc(CCNc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is GLJHAPAPAZAOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-28-15-5-2-13(3-6-15)10-11-23-19-9-8-18(25-26-19)20(27)24-14-4-7-16(21)17(22)12-14/h2-9,12H,10-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).