N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C29H34N6O5 — CID 135660982

About N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135660982) has the molecular formula C29H34N6O5 and a molecular weight of 546.63 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135660982
• Molecular Formula: C29H34N6O5
• Molecular Weight: 546.63 g/mol
• Exact Mass: 546.26
• IUPAC Name: N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2C1c1ccc(OCC(=O)N2CCCCC2)c(OC)c1
• InChI: InChI=1S/C29H34N6O5/c1-4-39-22-11-7-6-10-21(22)33-28(37)26-19(2)32-29-30-18-31-35(29)27(26)20-12-13-23(24(16-20)38-3)40-17-25(36)34-14-8-5-9-15-34/h6-7,10-13,16,18,27H,4-5,8-9,14-15,17H2,1-3H3,(H,33,37)(H,30,31,32)
• InChIKey: VDRRGBSWNUKNDM-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 119.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.63
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135660982) is N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2C1c1ccc(OCC(=O)N2CCCCC2)c(OC)c1.

What is the InChIKey of N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is VDRRGBSWNUKNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O5/c1-4-39-22-11-7-6-10-21(22)33-28(37)26-19(2)32-29-30-18-31-35(29)27(26)20-12-13-23(24(16-20)38-3)40-17-25(36)34-14-8-5-9-15-34/h6-7,10-13,16,18,27H,4-5,8-9,14-15,17H2,1-3H3,(H,33,37)(H,30,31,32).

What are the key properties of N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 546.63 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxyphenyl)-7-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135660982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).