N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C17H11F3N4O — CID 122143388

IUPACN-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)nn1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)14-8-6-12(10-21-14)16(25)22-15-9-7-13(23-24-15)11-4-2-1-3-5-11/h1-10H,(H,22,24,25)
InChIKeyGDFLPGVZQOFIPE-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.81
Rot. Bonds3

About N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 122143388) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID122143388
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC NameN-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)nn1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)14-8-6-12(10-21-14)16(25)22-15-9-7-13(23-24-15)11-4-2-1-3-5-11/h1-10H,(H,22,24,25)
InChIKeyGDFLPGVZQOFIPE-UHFFFAOYSA-N
XLogP3.81
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47019901
N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167658935
N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167991782
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112812503
3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 43638815
(2R)-3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 80749875
4-amino-4-oxo-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 43638813
N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38436444
N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171812
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946

Frequently Asked Questions

What is the IUPAC name of N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 122143388) is N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)nn1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GDFLPGVZQOFIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-17(19,20)14-8-6-12(10-21-14)16(25)22-15-9-7-13(23-24-15)11-4-2-1-3-5-11/h1-10H,(H,22,24,25).
What are the key properties of N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 122143388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).