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

C22H21N5O3 — CID 46268222

IUPAC4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2nc3nc(C)cc(=O)n3[nH]2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21N5O3/c1-14-4-8-17(9-5-14)26(21(29)16-6-10-18(30-3)11-7-16)13-19-24-22-23-15(2)12-20(28)27(22)25-19/h4-12H,13H2,1-3H3,(H,23,24,25)
InChIKeyLKAQWDNSINTINI-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.89
Rot. Bonds5

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

4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide (PubChem CID 46268222) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 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-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide
PubChem CID46268222
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2nc3nc(C)cc(=O)n3[nH]2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21N5O3/c1-14-4-8-17(9-5-14)26(21(29)16-6-10-18(30-3)11-7-16)13-19-24-22-23-15(2)12-20(28)27(22)25-19/h4-12H,13H2,1-3H3,(H,23,24,25)
InChIKeyLKAQWDNSINTINI-UHFFFAOYSA-N
XLogP2.89
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.89
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-phenylbenzamide
CID 50748910
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
N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
CID 50749255
N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)-3-nitrobenzamide
CID 50749079
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
2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
CID 46268246
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
N-(4-ethoxyphenyl)-4-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide
CID 46268284
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-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 53046146
2-(4-methoxyphenyl)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 23607375

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-(4-methylphenyl)benzamide?
The IUPAC name of 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) is 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide.
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-(4-methylphenyl)benzamide?
The canonical SMILES for 4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide is COc1ccc(C(=O)N(Cc2nc3nc(C)cc(=O)n3[nH]2)c2ccc(C)cc2)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-(4-methylphenyl)benzamide?
The InChIKey is LKAQWDNSINTINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-14-4-8-17(9-5-14)26(21(29)16-6-10-18(30-3)11-7-16)13-19-24-22-23-15(2)12-20(28)27(22)25-19/h4-12H,13H2,1-3H3,(H,23,24,25).
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-(4-methylphenyl)benzamide?
4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide has a molecular weight of 403.44 g/mol, XLogP of 2.89, 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-(4-methylphenyl)benzamide is sourced from PubChem (CID 46268222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).