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

C28H31N7O4 — CID 3180515

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

N-cyclopentyl-2-(2-methoxy-5-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (PubChem CID 3180515) has the molecular formula C28H31N7O4 and a molecular weight of 529.60 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methoxy-5-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-(2-methoxy-5-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• PubChem CID: 3180515
• Molecular Formula: C28H31N7O4
• Molecular Weight: 529.60 g/mol
• Exact Mass: 529.24
• IUPAC Name: N-cyclopentyl-2-(2-methoxy-5-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• SMILES: COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC1CCCC1)c1ccncc1
• InChI: InChI=1S/C28H31N7O4/c1-18-8-10-23(38-3)22(16-18)35(25(36)17-34-32-27(31-33-34)24-11-9-19(2)39-24)26(20-12-14-29-15-13-20)28(37)30-21-6-4-5-7-21/h8-16,21,26H,4-7,17H2,1-3H3,(H,30,37)
• InChIKey: KMQHUVDWXFPBEI-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 128.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.60
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-(2-methoxy-5-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (CID 3180515) is N-cyclopentyl-2-(2-methoxy-5-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

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

The canonical SMILES for N-cyclopentyl-2-(2-methoxy-5-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC1CCCC1)c1ccncc1.

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

The InChIKey is KMQHUVDWXFPBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O4/c1-18-8-10-23(38-3)22(16-18)35(25(36)17-34-32-27(31-33-34)24-11-9-19(2)39-24)26(20-12-14-29-15-13-20)28(37)30-21-6-4-5-7-21/h8-16,21,26H,4-7,17H2,1-3H3,(H,30,37).

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

N-cyclopentyl-2-(2-methoxy-5-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide has a molecular weight of 529.60 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-(2-methoxy-5-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3180515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).