6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

C26H20F3N5O3 — CID 166557736

IUPAC6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCn1cnnc1-c1ccccc1-c1cc(C(=O)Nc2cc(C=O)cc(C(F)(F)F)c2O)nc(C2CC2)c1
InChIInChI=1S/C26H20F3N5O3/c1-34-13-30-33-24(34)18-5-3-2-4-17(18)16-10-20(15-6-7-15)31-22(11-16)25(37)32-21-9-14(12-35)8-19(23(21)36)26(27,28)29/h2-5,8-13,15,36H,6-7H2,1H3,(H,32,37)
InChIKeyHEGJAQHHMKJUCT-UHFFFAOYSA-N
MW507.47 g/mol
LogP5.21
Rot. Bonds6

About 6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 166557736) has the molecular formula C26H20F3N5O3 and a molecular weight of 507.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID166557736
Molecular FormulaC26H20F3N5O3
Molecular Weight507.47 g/mol
Exact Mass507.15
IUPAC Name6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCn1cnnc1-c1ccccc1-c1cc(C(=O)Nc2cc(C=O)cc(C(F)(F)F)c2O)nc(C2CC2)c1
InChIInChI=1S/C26H20F3N5O3/c1-34-13-30-33-24(34)18-5-3-2-4-17(18)16-10-20(15-6-7-15)31-22(11-16)25(37)32-21-9-14(12-35)8-19(23(21)36)26(27,28)29/h2-5,8-13,15,36H,6-7H2,1H3,(H,32,37)
InChIKeyHEGJAQHHMKJUCT-UHFFFAOYSA-N
XLogP5.21
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.47
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (CID 166557736) is 6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is Cn1cnnc1-c1ccccc1-c1cc(C(=O)Nc2cc(C=O)cc(C(F)(F)F)c2O)nc(C2CC2)c1.
What is the InChIKey of 6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is HEGJAQHHMKJUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O3/c1-34-13-30-33-24(34)18-5-3-2-4-17(18)16-10-20(15-6-7-15)31-22(11-16)25(37)32-21-9-14(12-35)8-19(23(21)36)26(27,28)29/h2-5,8-13,15,36H,6-7H2,1H3,(H,32,37).
What are the key properties of 6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 507.47 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-formyl-2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 166557736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).