N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

C27H31N7O3 — CID 3179273

About N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (PubChem CID 3179273) has the molecular formula C27H31N7O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• PubChem CID: 3179273
• Molecular Formula: C27H31N7O3
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.25
• IUPAC Name: N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C)c3C)C(C(=O)NC(C)(C)C)c3ccncc3)n2)o1
• InChI: InChI=1S/C27H31N7O3/c1-17-8-7-9-21(19(17)3)34(24(20-12-14-28-15-13-20)26(36)29-27(4,5)6)23(35)16-33-31-25(30-32-33)22-11-10-18(2)37-22/h7-15,24H,16H2,1-6H3,(H,29,36)
• InChIKey: WKNFHXRZVQCNEN-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 119.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

The IUPAC name of N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (CID 3179273) is N-tert-butyl-2-(2,3-dimethyl-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-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

The canonical SMILES for N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C)c3C)C(C(=O)NC(C)(C)C)c3ccncc3)n2)o1.

What is the InChIKey of N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

The InChIKey is WKNFHXRZVQCNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O3/c1-17-8-7-9-21(19(17)3)34(24(20-12-14-28-15-13-20)26(36)29-27(4,5)6)23(35)16-33-31-25(30-32-33)22-11-10-18(2)37-22/h7-15,24H,16H2,1-6H3,(H,29,36).

What are the key properties of N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide?

N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide has a molecular weight of 501.59 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3179273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).