2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide

C16H17F3N4O — CID 113044681

IUPAC2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C16H17F3N4O/c1-2-3-4-9-20-12-7-8-13(23-22-12)21-16(24)10-5-6-11(17)15(19)14(10)18/h5-8H,2-4,9H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyRXWJFNJACSJWKP-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.75
Rot. Bonds7

About 2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide

2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide (PubChem CID 113044681) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide
PubChem CID113044681
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C16H17F3N4O/c1-2-3-4-9-20-12-7-8-13(23-22-12)21-16(24)10-5-6-11(17)15(19)14(10)18/h5-8H,2-4,9H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyRXWJFNJACSJWKP-UHFFFAOYSA-N
XLogP3.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038324
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044650
5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109288225
2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide
CID 113044637
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044658
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044676
N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038313
2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 108808572

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide (CID 113044681) is 2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide is CCCCCNc1ccc(NC(=O)c2ccc(F)c(F)c2F)nn1.
What is the InChIKey of 2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
The InChIKey is RXWJFNJACSJWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-2-3-4-9-20-12-7-8-13(23-22-12)21-16(24)10-5-6-11(17)15(19)14(10)18/h5-8H,2-4,9H2,1H3,(H,20,22)(H,21,23,24).
What are the key properties of 2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide?
2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide has a molecular weight of 338.33 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).