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

C24H23N5O2 — CID 135348331

IUPAC3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C24H23N5O2/c1-17(2)29-16-25-28-23(29)21-12-7-13-22(26-21)27-24(30)19-10-6-11-20(14-19)31-15-18-8-4-3-5-9-18/h3-14,16-17H,15H2,1-2H3,(H,26,27,30)
InChIKeyCINXYOMCRZUUAO-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.75
Rot. Bonds7

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

3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 135348331) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID135348331
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C24H23N5O2/c1-17(2)29-16-25-28-23(29)21-12-7-13-22(26-21)27-24(30)19-10-6-11-20(14-19)31-15-18-8-4-3-5-9-18/h3-14,16-17H,15H2,1-2H3,(H,26,27,30)
InChIKeyCINXYOMCRZUUAO-UHFFFAOYSA-N
XLogP4.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 135348331) is 3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)n1.
What is the InChIKey of 3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is CINXYOMCRZUUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-17(2)29-16-25-28-23(29)21-12-7-13-22(26-21)27-24(30)19-10-6-11-20(14-19)31-15-18-8-4-3-5-9-18/h3-14,16-17H,15H2,1-2H3,(H,26,27,30).
What are the key properties of 3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 135348331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).