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

C24H29N7O4 — CID 40589603

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

(2S)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide (PubChem CID 40589603) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
• PubChem CID: 40589603
• Molecular Formula: C24H29N7O4
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.23
• IUPAC Name: (2S)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
• SMILES: COc1ccc(-c2nnn(CC(=O)N(CCO)[C@H](C(=O)NC3CCCC3)c3ccncc3)n2)cc1
• InChI: InChI=1S/C24H29N7O4/c1-35-20-8-6-18(7-9-20)23-27-29-31(28-23)16-21(33)30(14-15-32)22(17-10-12-25-13-11-17)24(34)26-19-4-2-3-5-19/h6-13,19,22,32H,2-5,14-16H2,1H3,(H,26,34)/t22-/m0/s1
• InChIKey: IUGZPZBXBNTMKI-QFIPXVFZSA-N
• XLogP: 1.36
• TPSA: 135.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (2S)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide (CID 40589603) is (2S)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide.

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

The canonical SMILES for (2S)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide is COc1ccc(-c2nnn(CC(=O)N(CCO)[C@H](C(=O)NC3CCCC3)c3ccncc3)n2)cc1.

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

The InChIKey is IUGZPZBXBNTMKI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-35-20-8-6-18(7-9-20)23-27-29-31(28-23)16-21(33)30(14-15-32)22(17-10-12-25-13-11-17)24(34)26-19-4-2-3-5-19/h6-13,19,22,32H,2-5,14-16H2,1H3,(H,26,34)/t22-/m0/s1.

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

(2S)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide has a molecular weight of 479.54 g/mol, XLogP of 1.36, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 40589603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).