6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C16H17F3N4O2 — CID 109114208

IUPAC6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H17F3N4O2/c1-25-10-4-9-20-14-8-7-13(22-23-14)15(24)21-12-6-3-2-5-11(12)16(17,18)19/h2-3,5-8H,4,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeySRNHFJKOQFZRDI-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.20
Rot. Bonds7

About 6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109114208) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109114208
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H17F3N4O2/c1-25-10-4-9-20-14-8-7-13(22-23-14)15(24)21-12-6-3-2-5-11(12)16(17,18)19/h2-3,5-8H,4,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeySRNHFJKOQFZRDI-UHFFFAOYSA-N
XLogP3.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114184
6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109124777
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109110690
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109114208) is 6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is COCCCNc1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of 6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is SRNHFJKOQFZRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-25-10-4-9-20-14-8-7-13(22-23-14)15(24)21-12-6-3-2-5-11(12)16(17,18)19/h2-3,5-8H,4,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109114208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).