N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C23H19F3N4O2 — CID 91955165

IUPACN-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)c1ccc(=O)n(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C23H19F3N4O2/c24-23(25,26)18-6-3-7-19(13-18)29-15-17(9-10-21(29)31)22(32)27-11-4-12-30-20-8-2-1-5-16(20)14-28-30/h1-3,5-10,13-15H,4,11-12H2,(H,27,32)
InChIKeyOOFJXSFZXQDHKY-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.03
Rot. Bonds6

About N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 91955165) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID91955165
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC NameN-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)c1ccc(=O)n(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C23H19F3N4O2/c24-23(25,26)18-6-3-7-19(13-18)29-15-17(9-10-21(29)31)22(32)27-11-4-12-30-20-8-2-1-5-16(20)14-28-30/h1-3,5-10,13-15H,4,11-12H2,(H,27,32)
InChIKeyOOFJXSFZXQDHKY-UHFFFAOYSA-N
XLogP4.03
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954843
N-[3-(6-chloroindazol-1-yl)propyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954850
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 91954418
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715
N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
CID 131934698
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
N-[3-(azepan-1-yl)propyl]-3-oxo-4-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 69144994
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 91955190
(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 124844866
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892
N-(3-indazol-1-ylpropyl)-4-phenyl-1,4-diazepane-1-carboxamide
CID 121496739
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 136663278

Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 91955165) is N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(NCCCn1ncc2ccccc21)c1ccc(=O)n(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OOFJXSFZXQDHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c24-23(25,26)18-6-3-7-19(13-18)29-15-17(9-10-21(29)31)22(32)27-11-4-12-30-20-8-2-1-5-16(20)14-28-30/h1-3,5-10,13-15H,4,11-12H2,(H,27,32).
What are the key properties of N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 91955165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).