4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide

C24H23N5O4 — CID 53159851

IUPAC4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nnc4ccc(NC(C)=O)cn34)cc2)c(OC)c1
InChIInChI=1S/C24H23N5O4/c1-15(30)26-19-9-11-22-27-28-23(29(22)14-19)16-4-6-17(7-5-16)24(31)25-13-18-8-10-20(32-2)12-21(18)33-3/h4-12,14H,13H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyWTSDDFZBAUEMCG-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.30
Rot. Bonds7

About 4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide

4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 53159851) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
PubChem CID53159851
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nnc4ccc(NC(C)=O)cn34)cc2)c(OC)c1
InChIInChI=1S/C24H23N5O4/c1-15(30)26-19-9-11-22-27-28-23(29(22)14-19)16-4-6-17(7-5-16)24(31)25-13-18-8-10-20(32-2)12-21(18)33-3/h4-12,14H,13H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyWTSDDFZBAUEMCG-UHFFFAOYSA-N
XLogP3.30
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide with MolForge

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 71896744
4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 53146056
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55578020
4-acetamido-N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzamide
CID 110795800
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129

Frequently Asked Questions

What is the IUPAC name of 4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide (CID 53159851) is 4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(-c3nnc4ccc(NC(C)=O)cn34)cc2)c(OC)c1.
What is the InChIKey of 4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is WTSDDFZBAUEMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-15(30)26-19-9-11-22-27-28-23(29(22)14-19)16-4-6-17(7-5-16)24(31)25-13-18-8-10-20(32-2)12-21(18)33-3/h4-12,14H,13H2,1-3H3,(H,25,31)(H,26,30).
What are the key properties of 4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 445.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 53159851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).