N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide

C21H21FN4O3 — CID 113042583

IUPACN-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCCc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C21H21FN4O3/c1-28-17-11-15(12-18(13-17)29-2)21(27)24-20-8-7-19(25-26-20)23-10-9-14-3-5-16(22)6-4-14/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyTUEDYKIYSNDRRR-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.54
Rot. Bonds8

About N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide

N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide (PubChem CID 113042583) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
PubChem CID113042583
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCCc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C21H21FN4O3/c1-28-17-11-15(12-18(13-17)29-2)21(27)24-20-8-7-19(25-26-20)23-10-9-14-3-5-16(22)6-4-14/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,24,26,27)
InChIKeyTUEDYKIYSNDRRR-UHFFFAOYSA-N
XLogP3.54
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044099
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113042585
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039907
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039326
4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042326
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028470
N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158661
methyl 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122119
N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982463
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide (CID 113042583) is N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(NCCc3ccc(F)cc3)nn2)c1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
The InChIKey is TUEDYKIYSNDRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-17-11-15(12-18(13-17)29-2)21(27)24-20-8-7-19(25-26-20)23-10-9-14-3-5-16(22)6-4-14/h3-8,11-13H,9-10H2,1-2H3,(H,23,25)(H,24,26,27).
What are the key properties of N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide?
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide has a molecular weight of 396.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113042583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).