N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide

C21H32N4O5 — CID 54645330

About N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide

N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide (PubChem CID 54645330) has the molecular formula C21H32N4O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
• PubChem CID: 54645330
• Molecular Formula: C21H32N4O5
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.24
• IUPAC Name: N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
• SMILES: O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1
• InChI: InChI=1S/C21H32N4O5/c26-15-19-18(24-21(28)14-25-9-11-29-12-10-25)5-4-17(30-19)6-8-23-20(27)13-16-3-1-2-7-22-16/h1-3,7,17-19,26H,4-6,8-15H2,(H,23,27)(H,24,28)/t17-,18-,19-/m1/s1
• InChIKey: RLKWOXOHJMZSAQ-GUDVDZBRSA-N
• XLogP: -0.51
• TPSA: 113.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	-0.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide?

The IUPAC name of N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide (CID 54645330) is N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide.

What is the SMILES notation for N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide?

The canonical SMILES for N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1.

What is the InChIKey of N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide?

The InChIKey is RLKWOXOHJMZSAQ-GUDVDZBRSA-N. The full InChI is InChI=1S/C21H32N4O5/c26-15-19-18(24-21(28)14-25-9-11-29-12-10-25)5-4-17(30-19)6-8-23-20(27)13-16-3-1-2-7-22-16/h1-3,7,17-19,26H,4-6,8-15H2,(H,23,27)(H,24,28)/t17-,18-,19-/m1/s1.

What are the key properties of N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide?

N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide has a molecular weight of 420.51 g/mol, XLogP of -0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 54645330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).