5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide

C23H19F3N6O3 — CID 45255310

IUPAC5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCOc1cncc(-c2cn(-c3cc(C(=O)Nc4ccc(OC)c(C(F)(F)F)c4)cnc3C)nn2)c1
InChIInChI=1S/C23H19F3N6O3/c1-13-20(32-12-19(30-31-32)14-6-17(34-2)11-27-9-14)7-15(10-28-13)22(33)29-16-4-5-21(35-3)18(8-16)23(24,25)26/h4-12H,1-3H3,(H,29,33)
InChIKeyXFOYSYRSSNVWIO-UHFFFAOYSA-N
MW484.44 g/mol
LogP4.32
Rot. Bonds6

About 5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide

5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 45255310) has the molecular formula C23H19F3N6O3 and a molecular weight of 484.44 g/mol. Its IUPAC name is 5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
PubChem CID45255310
Molecular FormulaC23H19F3N6O3
Molecular Weight484.44 g/mol
Exact Mass484.15
IUPAC Name5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCOc1cncc(-c2cn(-c3cc(C(=O)Nc4ccc(OC)c(C(F)(F)F)c4)cnc3C)nn2)c1
InChIInChI=1S/C23H19F3N6O3/c1-13-20(32-12-19(30-31-32)14-6-17(34-2)11-27-9-14)7-15(10-28-13)22(33)29-16-4-5-21(35-3)18(8-16)23(24,25)26/h4-12H,1-3H3,(H,29,33)
InChIKeyXFOYSYRSSNVWIO-UHFFFAOYSA-N
XLogP4.32
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide (CID 45255310) is 5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide is COc1cncc(-c2cn(-c3cc(C(=O)Nc4ccc(OC)c(C(F)(F)F)c4)cnc3C)nn2)c1.
What is the InChIKey of 5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is XFOYSYRSSNVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O3/c1-13-20(32-12-19(30-31-32)14-6-17(34-2)11-27-9-14)7-15(10-28-13)22(33)29-16-4-5-21(35-3)18(8-16)23(24,25)26/h4-12H,1-3H3,(H,29,33).
What are the key properties of 5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide?
5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 484.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 45255310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).