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

C25H27N7O2 — CID 59186261

IUPAC4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN(C)C)cc4)nn23)c1
InChIInChI=1S/C25H27N7O2/c1-17(33)27-21-7-4-6-19(16-21)22-8-5-9-23-29-25(30-32(22)23)28-20-12-10-18(11-13-20)24(34)26-14-15-31(2)3/h4-13,16H,14-15H2,1-3H3,(H,26,34)(H,27,33)(H,28,30)
InChIKeyLGCBQDKAEPCSQL-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.39
Rot. Bonds8

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

4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 59186261) 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-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID59186261
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-(dimethylamino)ethyl]benzamide
SMILESCC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN(C)C)cc4)nn23)c1
InChIInChI=1S/C25H27N7O2/c1-17(33)27-21-7-4-6-19(16-21)22-8-5-9-23-29-25(30-32(22)23)28-20-12-10-18(11-13-20)24(34)26-14-15-31(2)3/h4-13,16H,14-15H2,1-3H3,(H,26,34)(H,27,33)(H,28,30)
InChIKeyLGCBQDKAEPCSQL-UHFFFAOYSA-N
XLogP3.39
TPSA103.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide
CID 44556160
N-(2-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44556015
N-(2-methoxyethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59186391
N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide
CID 147531667
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59186275
4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186532
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 44553802
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-(cyclohexylmethyl)benzamide;4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 161234295
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 44624635
4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59276580
4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 59186371

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-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide (CID 59186261) is 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide is CC(=O)Nc1cccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN(C)C)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-(dimethylamino)ethyl]benzamide?
The InChIKey is LGCBQDKAEPCSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-17(33)27-21-7-4-6-19(16-21)22-8-5-9-23-29-25(30-32(22)23)28-20-12-10-18(11-13-20)24(34)26-14-15-31(2)3/h4-13,16H,14-15H2,1-3H3,(H,26,34)(H,27,33)(H,28,30).
What are the key properties of 4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide?
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 457.54 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 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-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 59186261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).