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

C28H31N7O3 — CID 3179299

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

N-tert-butyl-2-(4-methoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (PubChem CID 3179299) has the molecular formula C28H31N7O3 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(4-methoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• PubChem CID: 3179299
• Molecular Formula: C28H31N7O3
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.25
• IUPAC Name: N-tert-butyl-2-(4-methoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• SMILES: COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C(C(=O)NC(C)(C)C)c2ccncc2)cc1
• InChI: InChI=1S/C28H31N7O3/c1-19-6-8-21(9-7-19)26-31-33-34(32-26)18-24(36)35(22-10-12-23(38-5)13-11-22)25(20-14-16-29-17-15-20)27(37)30-28(2,3)4/h6-17,25H,18H2,1-5H3,(H,30,37)
• InChIKey: LIHNYZMPCGATRS-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 115.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-tert-butyl-2-(4-methoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (CID 3179299) is N-tert-butyl-2-(4-methoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

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

The canonical SMILES for N-tert-butyl-2-(4-methoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C(C(=O)NC(C)(C)C)c2ccncc2)cc1.

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

The InChIKey is LIHNYZMPCGATRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O3/c1-19-6-8-21(9-7-19)26-31-33-34(32-26)18-24(36)35(22-10-12-23(38-5)13-11-22)25(20-14-16-29-17-15-20)27(37)30-28(2,3)4/h6-17,25H,18H2,1-5H3,(H,30,37).

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

N-tert-butyl-2-(4-methoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide has a molecular weight of 513.60 g/mol, XLogP of 3.74, 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-(4-methoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3179299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).