N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide

C15H15F3N4O — CID 50947431

IUPACN-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C15H15F3N4O/c1-10-2-7-13(22-21-10)19-8-9-20-14(23)11-3-5-12(6-4-11)15(16,17)18/h2-7H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyUBZKMDHSJAGZHR-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.65
Rot. Bonds5

About N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 50947431) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID50947431
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C15H15F3N4O/c1-10-2-7-13(22-21-10)19-8-9-20-14(23)11-3-5-12(6-4-11)15(16,17)18/h2-7H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyUBZKMDHSJAGZHR-UHFFFAOYSA-N
XLogP2.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.65
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-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56919617
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 42111935
4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide
CID 133433473
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 24661939
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 86921324
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 133273965
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 122326277
4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399393

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide (CID 50947431) is N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide is Cc1ccc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UBZKMDHSJAGZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-10-2-7-13(22-21-10)19-8-9-20-14(23)11-3-5-12(6-4-11)15(16,17)18/h2-7H,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 324.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 50947431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).