4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide

C21H19N5O3 — CID 50748910

IUPAC4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2nc3nc(C)cc(=O)n3[nH]2)c2ccccc2)cc1
InChIInChI=1S/C21H19N5O3/c1-14-12-19(27)26-21(22-14)23-18(24-26)13-25(16-6-4-3-5-7-16)20(28)15-8-10-17(29-2)11-9-15/h3-12H,13H2,1-2H3,(H,22,23,24)
InChIKeyUTAPMAABJAVXCE-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.58
Rot. Bonds5

About 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide

4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide (PubChem CID 50748910) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
PubChem CID50748910
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2nc3nc(C)cc(=O)n3[nH]2)c2ccccc2)cc1
InChIInChI=1S/C21H19N5O3/c1-14-12-19(27)26-21(22-14)23-18(24-26)13-25(16-6-4-3-5-7-16)20(28)15-8-10-17(29-2)11-9-15/h3-12H,13H2,1-2H3,(H,22,23,24)
InChIKeyUTAPMAABJAVXCE-UHFFFAOYSA-N
XLogP2.58
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide
CID 46268222
N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
CID 50749255
N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
CID 50748964
2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
CID 46268246
3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
CID 50748917
3-chloro-N-(4-fluorophenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
CID 50748911
N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 50748810
N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide
CID 46268275
2-(4-methoxyphenyl)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 23607375
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
CID 14872044
3-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 6485779

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide?
The IUPAC name of 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide (CID 50748910) is 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide is COc1ccc(C(=O)N(Cc2nc3nc(C)cc(=O)n3[nH]2)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide?
The InChIKey is UTAPMAABJAVXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-14-12-19(27)26-21(22-14)23-18(24-26)13-25(16-6-4-3-5-7-16)20(28)15-8-10-17(29-2)11-9-15/h3-12H,13H2,1-2H3,(H,22,23,24).
What are the key properties of 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide?
4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide has a molecular weight of 389.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 50748910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).