3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide

C21H20N6O2 — CID 78845185

IUPAC3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNc2cc(-c3ccccc3)nc3ncnn23)c1
InChIInChI=1S/C21H20N6O2/c1-29-17-9-5-8-16(12-17)20(28)23-11-10-22-19-13-18(15-6-3-2-4-7-15)26-21-24-14-25-27(19)21/h2-9,12-14,22H,10-11H2,1H3,(H,23,28)
InChIKeyYSKZWTNPRWOQEH-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.64
Rot. Bonds7

About 3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide

3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide (PubChem CID 78845185) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide
PubChem CID78845185
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNc2cc(-c3ccccc3)nc3ncnn23)c1
InChIInChI=1S/C21H20N6O2/c1-29-17-9-5-8-16(12-17)20(28)23-11-10-22-19-13-18(15-6-3-2-4-7-15)26-21-24-14-25-27(19)21/h2-9,12-14,22H,10-11H2,1H3,(H,23,28)
InChIKeyYSKZWTNPRWOQEH-UHFFFAOYSA-N
XLogP2.64
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46096732
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 86921294
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 86974971
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-(5-fluoro-2-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 178201764
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
3-methoxy-N-[2-[(5-nitropyrimidin-2-yl)amino]ethyl]benzamide
CID 133467918
3-methoxy-N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111005192
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide (CID 78845185) is 3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide is COc1cccc(C(=O)NCCNc2cc(-c3ccccc3)nc3ncnn23)c1.
What is the InChIKey of 3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide?
The InChIKey is YSKZWTNPRWOQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-29-17-9-5-8-16(12-17)20(28)23-11-10-22-19-13-18(15-6-3-2-4-7-15)26-21-24-14-25-27(19)21/h2-9,12-14,22H,10-11H2,1H3,(H,23,28).
What are the key properties of 3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide?
3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide is sourced from PubChem (CID 78845185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).