N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide

C21H21FN4O2 — CID 109122177

IUPACN-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccc(C(=O)NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C21H21FN4O2/c1-14-3-9-19(28-2)18(13-14)24-20-10-8-17(25-26-20)21(27)23-12-11-15-4-6-16(22)7-5-15/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyGYTQLDAAEUCTPG-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.65
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide (PubChem CID 109122177) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
PubChem CID109122177
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccc(C(=O)NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C21H21FN4O2/c1-14-3-9-19(28-2)18(13-14)24-20-10-8-17(25-26-20)21(27)23-12-11-15-4-6-16(22)7-5-15/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyGYTQLDAAEUCTPG-UHFFFAOYSA-N
XLogP3.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109192365
methyl 2-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109122187
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195
6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110513
N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109193668
N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109122203
N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109123473
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122427
N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide (CID 109122177) is N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide is COc1ccc(C)cc1Nc1ccc(C(=O)NCCc2ccc(F)cc2)nn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide?
The InChIKey is GYTQLDAAEUCTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-3-9-19(28-2)18(13-14)24-20-10-8-17(25-26-20)21(27)23-12-11-15-4-6-16(22)7-5-15/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109122177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).