4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide

C25H28N6O2 — CID 70943710

IUPAC4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide
SMILESCNC(C)(C)CNC(=O)c1ccc(Nc2nc3c(-c4cccc(OC)c4)cccn3n2)cc1
InChIInChI=1S/C25H28N6O2/c1-25(2,26-3)16-27-23(32)17-10-12-19(13-11-17)28-24-29-22-21(9-6-14-31(22)30-24)18-7-5-8-20(15-18)33-4/h5-15,26H,16H2,1-4H3,(H,27,32)(H,28,30)
InChIKeyJESDYBDJZZEQFQ-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.88
Rot. Bonds8

About 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide

4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide (PubChem CID 70943710) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide
PubChem CID70943710
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide
SMILESCNC(C)(C)CNC(=O)c1ccc(Nc2nc3c(-c4cccc(OC)c4)cccn3n2)cc1
InChIInChI=1S/C25H28N6O2/c1-25(2,26-3)16-27-23(32)17-10-12-19(13-11-17)28-24-29-22-21(9-6-14-31(22)30-24)18-7-5-8-20(15-18)33-4/h5-15,26H,16H2,1-4H3,(H,27,32)(H,28,30)
InChIKeyJESDYBDJZZEQFQ-UHFFFAOYSA-N
XLogP3.88
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide?
The IUPAC name of 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide (CID 70943710) is 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide?
The canonical SMILES for 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide is CNC(C)(C)CNC(=O)c1ccc(Nc2nc3c(-c4cccc(OC)c4)cccn3n2)cc1.
What is the InChIKey of 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide?
The InChIKey is JESDYBDJZZEQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-25(2,26-3)16-27-23(32)17-10-12-19(13-11-17)28-24-29-22-21(9-6-14-31(22)30-24)18-7-5-8-20(15-18)33-4/h5-15,26H,16H2,1-4H3,(H,27,32)(H,28,30).
What are the key properties of 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide?
4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide is sourced from PubChem (CID 70943710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).