3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C25H24N6O2 — CID 135347739

IUPAC3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cccc(C4CC4)n3)c2)n1
InChIInChI=1S/C25H24N6O2/c1-16(2)31-15-26-30-24(31)21-9-4-10-22(27-21)29-25(32)18-6-3-7-19(14-18)33-23-11-5-8-20(28-23)17-12-13-17/h3-11,14-17H,12-13H2,1-2H3,(H,27,29,32)
InChIKeyZYJVLNNPTDKAOU-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.24
Rot. Bonds7

About 3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 135347739) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID135347739
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cccc(C4CC4)n3)c2)n1
InChIInChI=1S/C25H24N6O2/c1-16(2)31-15-26-30-24(31)21-9-4-10-22(27-21)29-25(32)18-6-3-7-19(14-18)33-23-11-5-8-20(28-23)17-12-13-17/h3-11,14-17H,12-13H2,1-2H3,(H,27,29,32)
InChIKeyZYJVLNNPTDKAOU-UHFFFAOYSA-N
XLogP5.24
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 135347739) is 3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(Oc3cccc(C4CC4)n3)c2)n1.
What is the InChIKey of 3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is ZYJVLNNPTDKAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16(2)31-15-26-30-24(31)21-9-4-10-22(27-21)29-25(32)18-6-3-7-19(14-18)33-23-11-5-8-20(28-23)17-12-13-17/h3-11,14-17H,12-13H2,1-2H3,(H,27,29,32).
What are the key properties of 3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 440.51 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 135347739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).