N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

C29H33N7O3 — CID 3179308

About N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (PubChem CID 3179308) has the molecular formula C29H33N7O3 and a molecular weight of 527.63 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• PubChem CID: 3179308
• Molecular Formula: C29H33N7O3
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.26
• IUPAC Name: N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• SMILES: COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(C(=O)NC(C)(C)C)c1ccncc1
• InChI: InChI=1S/C29H33N7O3/c1-19-7-10-22(11-8-19)27-32-34-35(33-27)18-25(37)36(23-17-20(2)9-12-24(23)39-6)26(21-13-15-30-16-14-21)28(38)31-29(3,4)5/h7-17,26H,18H2,1-6H3,(H,31,38)
• InChIKey: OTVJRJSOMIYSQT-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 115.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

The IUPAC name of N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (CID 3179308) is N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

What is the SMILES notation for N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

The canonical SMILES for N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(C(=O)NC(C)(C)C)c1ccncc1.

What is the InChIKey of N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

The InChIKey is OTVJRJSOMIYSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O3/c1-19-7-10-22(11-8-19)27-32-34-35(33-27)18-25(37)36(23-17-20(2)9-12-24(23)39-6)26(21-13-15-30-16-14-21)28(38)31-29(3,4)5/h7-17,26H,18H2,1-6H3,(H,31,38).

What are the key properties of N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide has a molecular weight of 527.63 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(2-methoxy-5-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3179308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).