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

C19H15ClF2N4O — CID 109126313

IUPAC6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C19H15ClF2N4O/c20-13-3-1-2-12(10-13)8-9-23-18-7-6-17(25-26-18)19(27)24-16-5-4-14(21)11-15(16)22/h1-7,10-11H,8-9H2,(H,23,26)(H,24,27)
InChIKeyKVNHLZQWTUHEFD-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.32
Rot. Bonds6

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

6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide (PubChem CID 109126313) has the molecular formula C19H15ClF2N4O and a molecular weight of 388.81 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
PubChem CID109126313
Molecular FormulaC19H15ClF2N4O
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC Name6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C19H15ClF2N4O/c20-13-3-1-2-12(10-13)8-9-23-18-7-6-17(25-26-18)19(27)24-16-5-4-14(21)11-15(16)22/h1-7,10-11H,8-9H2,(H,23,26)(H,24,27)
InChIKeyKVNHLZQWTUHEFD-UHFFFAOYSA-N
XLogP4.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842
N-(2,4-difluorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121063
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
5-[2-(4-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109193713
N-(2,4-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247776
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113787
6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118859
6-[2-(3-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109161942
N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122361
6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109124809
N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113045233
6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112864590

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide (CID 109126313) is 6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(NCCc2cccc(Cl)c2)nn1.
What is the InChIKey of 6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
The InChIKey is KVNHLZQWTUHEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O/c20-13-3-1-2-12(10-13)8-9-23-18-7-6-17(25-26-18)19(27)24-16-5-4-14(21)11-15(16)22/h1-7,10-11H,8-9H2,(H,23,26)(H,24,27).
What are the key properties of 6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide?
6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide has a molecular weight of 388.81 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).