N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

C28H28FN7O2 — CID 3180504

About N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide

N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (PubChem CID 3180504) has the molecular formula C28H28FN7O2 and a molecular weight of 513.58 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• PubChem CID: 3180504
• Molecular Formula: C28H28FN7O2
• Molecular Weight: 513.58 g/mol
• Exact Mass: 513.23
• IUPAC Name: N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)C(C(=O)NC3CCCC3)c3ccncc3)n2)cc1
• InChI: InChI=1S/C28H28FN7O2/c1-19-6-8-21(9-7-19)27-32-34-35(33-27)18-25(37)36(24-12-10-22(29)11-13-24)26(20-14-16-30-17-15-20)28(38)31-23-4-2-3-5-23/h6-17,23,26H,2-5,18H2,1H3,(H,31,38)
• InChIKey: XGJKUDMMCXSLML-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 105.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.58
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide (CID 3180504) is N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide.

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

The canonical SMILES for N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)C(C(=O)NC3CCCC3)c3ccncc3)n2)cc1.

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

The InChIKey is XGJKUDMMCXSLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O2/c1-19-6-8-21(9-7-19)27-32-34-35(33-27)18-25(37)36(24-12-10-22(29)11-13-24)26(20-14-16-30-17-15-20)28(38)31-23-4-2-3-5-23/h6-17,23,26H,2-5,18H2,1H3,(H,31,38).

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

N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide has a molecular weight of 513.58 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3180504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).