2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide

C26H27N7O4 — CID 3180910

About 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide

2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide (PubChem CID 3180910) has the molecular formula C26H27N7O4 and a molecular weight of 501.55 g/mol. Its IUPAC name is 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide
• PubChem CID: 3180910
• Molecular Formula: C26H27N7O4
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.21
• IUPAC Name: 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(C(=O)NCC3CCCO3)c3ccncc3)n2)o1
• InChI: InChI=1S/C26H27N7O4/c1-18-9-10-22(37-18)25-29-31-32(30-25)17-23(34)33(20-6-3-2-4-7-20)24(19-11-13-27-14-12-19)26(35)28-16-21-8-5-15-36-21/h2-4,6-7,9-14,21,24H,5,8,15-17H2,1H3,(H,28,35)
• InChIKey: LJGPOWPVYYRRCE-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 128.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide (CID 3180910) is 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide.

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

The canonical SMILES for 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(C(=O)NCC3CCCO3)c3ccncc3)n2)o1.

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

The InChIKey is LJGPOWPVYYRRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O4/c1-18-9-10-22(37-18)25-29-31-32(30-25)17-23(34)33(20-6-3-2-4-7-20)24(19-11-13-27-14-12-19)26(35)28-16-21-8-5-15-36-21/h2-4,6-7,9-14,21,24H,5,8,15-17H2,1H3,(H,28,35).

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

2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide has a molecular weight of 501.55 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3180910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).