(2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide

C27H29N7O3 — CID 40624528

About (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide

(2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide (PubChem CID 40624528) has the molecular formula C27H29N7O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide
• PubChem CID: 40624528
• Molecular Formula: C27H29N7O3
• Molecular Weight: 499.58 g/mol
• Exact Mass: 499.23
• IUPAC Name: (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1
• InChI: InChI=1S/C27H29N7O3/c1-19-11-12-23(37-19)26-30-32-34(31-26)18-24(35)33(17-20-7-3-2-4-8-20)25(21-13-15-28-16-14-21)27(36)29-22-9-5-6-10-22/h2-4,7-8,11-16,22,25H,5-6,9-10,17-18H2,1H3,(H,29,36)/t25-/m0/s1
• InChIKey: DMQSOUZOACCKLY-VWLOTQADSA-N
• XLogP: 3.47
• TPSA: 119.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.58
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide?

The IUPAC name of (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide (CID 40624528) is (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide.

What is the SMILES notation for (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide?

The canonical SMILES for (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1.

What is the InChIKey of (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide?

The InChIKey is DMQSOUZOACCKLY-VWLOTQADSA-N. The full InChI is InChI=1S/C27H29N7O3/c1-19-11-12-23(37-19)26-30-32-34(31-26)18-24(35)33(17-20-7-3-2-4-8-20)25(21-13-15-28-16-14-21)27(36)29-22-9-5-6-10-22/h2-4,7-8,11-16,22,25H,5-6,9-10,17-18H2,1H3,(H,29,36)/t25-/m0/s1.

What are the key properties of (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide?

(2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide has a molecular weight of 499.58 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 40624528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).