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

C22H21F3N8O2 — CID 166556795

IUPAC6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide
SMILESCCNc1cc(-c2c(-c3nncn3C)cnn2C)cc(C(=O)Nc2cccc(C(F)(F)F)c2O)n1
InChIInChI=1S/C22H21F3N8O2/c1-4-26-17-9-12(18-13(10-28-33(18)3)20-31-27-11-32(20)2)8-16(29-17)21(35)30-15-7-5-6-14(19(15)34)22(23,24)25/h5-11,34H,4H2,1-3H3,(H,26,29)(H,30,35)
InChIKeyILSCQNNLFRTRPA-UHFFFAOYSA-N
MW486.46 g/mol
LogP3.69
Rot. Bonds6

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

6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide (PubChem CID 166556795) has the molecular formula C22H21F3N8O2 and a molecular weight of 486.46 g/mol. Its IUPAC name is 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide
PubChem CID166556795
Molecular FormulaC22H21F3N8O2
Molecular Weight486.46 g/mol
Exact Mass486.17
IUPAC Name6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide
SMILESCCNc1cc(-c2c(-c3nncn3C)cnn2C)cc(C(=O)Nc2cccc(C(F)(F)F)c2O)n1
InChIInChI=1S/C22H21F3N8O2/c1-4-26-17-9-12(18-13(10-28-33(18)3)20-31-27-11-32(20)2)8-16(29-17)21(35)30-15-7-5-6-14(19(15)34)22(23,24)25/h5-11,34H,4H2,1-3H3,(H,26,29)(H,30,35)
InChIKeyILSCQNNLFRTRPA-UHFFFAOYSA-N
XLogP3.69
TPSA122.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide (CID 166556795) is 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide is CCNc1cc(-c2c(-c3nncn3C)cnn2C)cc(C(=O)Nc2cccc(C(F)(F)F)c2O)n1.
What is the InChIKey of 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide?
The InChIKey is ILSCQNNLFRTRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N8O2/c1-4-26-17-9-12(18-13(10-28-33(18)3)20-31-27-11-32(20)2)8-16(29-17)21(35)30-15-7-5-6-14(19(15)34)22(23,24)25/h5-11,34H,4H2,1-3H3,(H,26,29)(H,30,35).
What are the key properties of 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide?
6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide has a molecular weight of 486.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 166556795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).