N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide

C23H23N5O2 — CID 50749162

IUPACN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide
SMILESCc1cccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)COc2ccccc2)c1
InChIInChI=1S/C23H23N5O2/c1-16-8-7-9-19(12-16)27(22(29)15-30-20-10-5-4-6-11-20)14-21-25-23-24-17(2)13-18(3)28(23)26-21/h4-13H,14-15H2,1-3H3
InChIKeyNDFDXSGNNVRPKA-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.66
Rot. Bonds6

About N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide

N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide (PubChem CID 50749162) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide
PubChem CID50749162
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide
SMILESCc1cccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)COc2ccccc2)c1
InChIInChI=1S/C23H23N5O2/c1-16-8-7-9-19(12-16)27(22(29)15-30-20-10-5-4-6-11-20)14-21-25-23-24-17(2)13-18(3)28(23)26-21/h4-13H,14-15H2,1-3H3
InChIKeyNDFDXSGNNVRPKA-UHFFFAOYSA-N
XLogP3.66
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide?
The IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide (CID 50749162) is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide?
The canonical SMILES for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide is Cc1cccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)COc2ccccc2)c1.
What is the InChIKey of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide?
The InChIKey is NDFDXSGNNVRPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-8-7-9-19(12-16)27(22(29)15-30-20-10-5-4-6-11-20)14-21-25-23-24-17(2)13-18(3)28(23)26-21/h4-13H,14-15H2,1-3H3.
What are the key properties of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide?
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide has a molecular weight of 401.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide is sourced from PubChem (CID 50749162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).