N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide

C15H18FN5O — CID 109115425

IUPACN-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C15H18FN5O/c1-21(2)10-9-17-15(22)13-7-8-14(20-19-13)18-12-5-3-11(16)4-6-12/h3-8H,9-10H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyCZAICUNECNNZPJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.65
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide

N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109115425) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109115425
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C15H18FN5O/c1-21(2)10-9-17-15(22)13-7-8-14(20-19-13)18-12-5-3-11(16)4-6-12/h3-8H,9-10H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyCZAICUNECNNZPJ-UHFFFAOYSA-N
XLogP1.65
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115423
N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109115410
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115449
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109115485
6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109116094
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide (CID 109115425) is N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide is CN(C)CCNC(=O)c1ccc(Nc2ccc(F)cc2)nn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is CZAICUNECNNZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-21(2)10-9-17-15(22)13-7-8-14(20-19-13)18-12-5-3-11(16)4-6-12/h3-8H,9-10H2,1-2H3,(H,17,22)(H,18,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109115425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).