4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide

C25H27N7O2 — CID 44556160

IUPAC4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide
SMILESCC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCC(C)(C)N)cc4)nn23)c1
InChIInChI=1S/C25H27N7O2/c1-16(33)28-20-7-4-6-18(14-20)21-8-5-9-22-30-24(31-32(21)22)29-19-12-10-17(11-13-19)23(34)27-15-25(2,3)26/h4-14H,15,26H2,1-3H3,(H,27,34)(H,28,33)(H,29,31)
InChIKeyVJTOBHUXMVSVMF-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.57
Rot. Bonds7

About 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide

4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide (PubChem CID 44556160) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide
PubChem CID44556160
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide
SMILESCC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCC(C)(C)N)cc4)nn23)c1
InChIInChI=1S/C25H27N7O2/c1-16(33)28-20-7-4-6-18(14-20)21-8-5-9-22-30-24(31-32(21)22)29-19-12-10-17(11-13-19)23(34)27-15-25(2,3)26/h4-14H,15,26H2,1-3H3,(H,27,34)(H,28,33)(H,29,31)
InChIKeyVJTOBHUXMVSVMF-UHFFFAOYSA-N
XLogP3.57
TPSA126.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide?
The IUPAC name of 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide (CID 44556160) is 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide.
What is the SMILES notation for 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide?
The canonical SMILES for 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide is CC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCC(C)(C)N)cc4)nn23)c1.
What is the InChIKey of 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide?
The InChIKey is VJTOBHUXMVSVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-16(33)28-20-7-4-6-18(14-20)21-8-5-9-22-30-24(31-32(21)22)29-19-12-10-17(11-13-19)23(34)27-15-25(2,3)26/h4-14H,15,26H2,1-3H3,(H,27,34)(H,28,33)(H,29,31).
What are the key properties of 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide?
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide has a molecular weight of 457.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide is sourced from PubChem (CID 44556160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).