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

C24H21F3N6O2 — CID 166557000

IUPAC6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCCNc1cc(-c2ccccc2-c2nncn2C)cc(C(=O)Nc2cccc(C(F)(F)F)c2O)n1
InChIInChI=1S/C24H21F3N6O2/c1-3-28-20-12-14(15-7-4-5-8-16(15)22-32-29-13-33(22)2)11-19(30-20)23(35)31-18-10-6-9-17(21(18)34)24(25,26)27/h4-13,34H,3H2,1-2H3,(H,28,30)(H,31,35)
InChIKeyUDKJCBUALQFCOT-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.95
Rot. Bonds6

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

6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 166557000) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID166557000
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCCNc1cc(-c2ccccc2-c2nncn2C)cc(C(=O)Nc2cccc(C(F)(F)F)c2O)n1
InChIInChI=1S/C24H21F3N6O2/c1-3-28-20-12-14(15-7-4-5-8-16(15)22-32-29-13-33(22)2)11-19(30-20)23(35)31-18-10-6-9-17(21(18)34)24(25,26)27/h4-13,34H,3H2,1-2H3,(H,28,30)(H,31,35)
InChIKeyUDKJCBUALQFCOT-UHFFFAOYSA-N
XLogP4.95
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (CID 166557000) is 6-(ethylamino)-N-[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-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is CCNc1cc(-c2ccccc2-c2nncn2C)cc(C(=O)Nc2cccc(C(F)(F)F)c2O)n1.
What is the InChIKey of 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is UDKJCBUALQFCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-3-28-20-12-14(15-7-4-5-8-16(15)22-32-29-13-33(22)2)11-19(30-20)23(35)31-18-10-6-9-17(21(18)34)24(25,26)27/h4-13,34H,3H2,1-2H3,(H,28,30)(H,31,35).
What are the key properties of 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-[2-hydroxy-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 166557000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).