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

C26H29N7O4 — CID 3179301

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

N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (PubChem CID 3179301) has the molecular formula C26H29N7O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• PubChem CID: 3179301
• Molecular Formula: C26H29N7O4
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.23
• IUPAC Name: N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• SMILES: COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC(C)(C)C)c2ccncc2)cc1
• InChI: InChI=1S/C26H29N7O4/c1-17-6-11-21(37-17)24-29-31-32(30-24)16-22(34)33(19-7-9-20(36-5)10-8-19)23(18-12-14-27-15-13-18)25(35)28-26(2,3)4/h6-15,23H,16H2,1-5H3,(H,28,35)
• InChIKey: MZAFGSYZQGFDPQ-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 128.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (CID 3179301) is N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

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

The canonical SMILES for N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC(C)(C)C)c2ccncc2)cc1.

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

The InChIKey is MZAFGSYZQGFDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4/c1-17-6-11-21(37-17)24-29-31-32(30-24)16-22(34)33(19-7-9-20(36-5)10-8-19)23(18-12-14-27-15-13-18)25(35)28-26(2,3)4/h6-15,23H,16H2,1-5H3,(H,28,35).

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

N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide has a molecular weight of 503.56 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3179301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).