N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C29H35N7O4 — CID 135662123

About N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135662123) has the molecular formula C29H35N7O4 and a molecular weight of 545.64 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135662123
• Molecular Formula: C29H35N7O4
• Molecular Weight: 545.64 g/mol
• Exact Mass: 545.28
• IUPAC Name: N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CCOc1cc(C2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nnnn32)ccc1OCC(=O)N1CCCCC1
• InChI: InChI=1S/C29H35N7O4/c1-5-39-24-16-21(12-13-23(24)40-17-25(37)35-14-7-6-8-15-35)27-26(20(4)30-29-32-33-34-36(27)29)28(38)31-22-11-9-10-18(2)19(22)3/h9-13,16,27H,5-8,14-15,17H2,1-4H3,(H,31,38)(H,30,32,34)
• InChIKey: JHOHBBCVHABYEM-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 123.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.64
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135662123) is N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1cc(C2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nnnn32)ccc1OCC(=O)N1CCCCC1.

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

The InChIKey is JHOHBBCVHABYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O4/c1-5-39-24-16-21(12-13-23(24)40-17-25(37)35-14-7-6-8-15-35)27-26(20(4)30-29-32-33-34-36(27)29)28(38)31-22-11-9-10-18(2)19(22)3/h9-13,16,27H,5-8,14-15,17H2,1-4H3,(H,31,38)(H,30,32,34).

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

N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 545.64 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135662123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).