6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C17H19F3N4O — CID 109125420

IUPAC6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C17H19F3N4O/c1-2-3-4-11-21-15-10-9-14(23-24-15)16(25)22-13-7-5-12(6-8-13)17(18,19)20/h5-10H,2-4,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyLTTAMKOKOPEBKH-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.35
Rot. Bonds7

About 6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109125420) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109125420
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C17H19F3N4O/c1-2-3-4-11-21-15-10-9-14(23-24-15)16(25)22-13-7-5-12(6-8-13)17(18,19)20/h5-10H,2-4,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyLTTAMKOKOPEBKH-UHFFFAOYSA-N
XLogP4.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide
CID 109125429
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109110726
6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109125432
6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109117791
6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109361683
6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
N-(1,3-benzodioxol-5-yl)-6-(butylamino)pyridazine-3-carboxamide
CID 109110742

Frequently Asked Questions

What is the IUPAC name of 6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109125420) is 6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CCCCCNc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of 6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is LTTAMKOKOPEBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-2-3-4-11-21-15-10-9-14(23-24-15)16(25)22-13-7-5-12(6-8-13)17(18,19)20/h5-10H,2-4,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109125420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).