N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide

C32H33N7O — CID 146310815

About N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide

N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide (PubChem CID 146310815) has the molecular formula C32H33N7O and a molecular weight of 531.66 g/mol. Its IUPAC name is N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide
• PubChem CID: 146310815
• Molecular Formula: C32H33N7O
• Molecular Weight: 531.66 g/mol
• Exact Mass: 531.27
• IUPAC Name: N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(CC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)nc(N(Cc3ccccc3)CC(C)C)c2)cc1
• InChI: InChI=1S/C32H33N7O/c1-22(2)20-39(21-25-9-5-4-6-10-25)30-19-26(33-31(40)17-24-15-13-23(3)14-16-24)18-29(34-30)27-11-7-8-12-28(27)32-35-37-38-36-32/h4-16,18-19,22H,17,20-21H2,1-3H3,(H,33,34,40)(H,35,36,37,38)
• InChIKey: SDMHXZUJGMFUMT-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 99.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.66
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide?

The IUPAC name of N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide (CID 146310815) is N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide.

What is the SMILES notation for N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide?

The canonical SMILES for N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)nc(N(Cc3ccccc3)CC(C)C)c2)cc1.

What is the InChIKey of N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide?

The InChIKey is SDMHXZUJGMFUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O/c1-22(2)20-39(21-25-9-5-4-6-10-25)30-19-26(33-31(40)17-24-15-13-23(3)14-16-24)18-29(34-30)27-11-7-8-12-28(27)32-35-37-38-36-32/h4-16,18-19,22H,17,20-21H2,1-3H3,(H,33,34,40)(H,35,36,37,38).

What are the key properties of N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide?

N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide has a molecular weight of 531.66 g/mol, XLogP of 6.08, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 146310815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).