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

C15H17F2N5O — CID 109115325

IUPACN-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C15H17F2N5O/c1-22(2)8-7-18-14-6-5-13(20-21-14)15(23)19-10-3-4-11(16)12(17)9-10/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyFLMOKNHSMRRDBY-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.98
Rot. Bonds6

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

N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide (PubChem CID 109115325) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
PubChem CID109115325
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC NameN-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C15H17F2N5O/c1-22(2)8-7-18-14-6-5-13(20-21-14)15(23)19-10-3-4-11(16)12(17)9-10/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyFLMOKNHSMRRDBY-UHFFFAOYSA-N
XLogP1.98
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115247
N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122508
N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853650
6-(ethylamino)-N-(3-fluoro-4-methylphenyl)pyridazine-3-carboxamide
CID 62166237
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109111535
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
CID 113039930
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115946
N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115295
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide (CID 109115325) is N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide is CN(C)CCNc1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide?
The InChIKey is FLMOKNHSMRRDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O/c1-22(2)8-7-18-14-6-5-13(20-21-14)15(23)19-10-3-4-11(16)12(17)9-10/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 1.98, 6 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-(dimethylamino)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109115325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).