N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide

C50H70N10O6 — CID 165060620

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 165060620) has the molecular formula C50H70N10O6 and a molecular weight of 907.17 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
• PubChem CID: 165060620
• Molecular Formula: C50H70N10O6
• Molecular Weight: 907.17 g/mol
• Exact Mass: 906.55
• IUPAC Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
• SMILES: CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(OCCN(C)C)c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(OCCN(C)C)c2)cnc1N
• InChI: InChI=1S/2C25H35N5O3/c2*1-5-18-13-20(15-27-23(18)26)28-24(31)25(32)30-16-17(2)9-10-22(30)19-7-6-8-21(14-19)33-12-11-29(3)4/h2*6-8,13-15,17,22H,5,9-12,16H2,1-4H3,(H2,26,27)(H,28,31)/t2*17-,22+/m00/s1
• InChIKey: RDENKGDPORFOGN-UHDULWDZSA-N
• XLogP: 6.21
• TPSA: 201.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	907.17
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 165060620) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(OCCN(C)C)c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(OCCN(C)C)c2)cnc1N.

What is the InChIKey of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?

The InChIKey is RDENKGDPORFOGN-UHDULWDZSA-N. The full InChI is InChI=1S/2C25H35N5O3/c2*1-5-18-13-20(15-27-23(18)26)28-24(31)25(32)30-16-17(2)9-10-22(30)19-7-6-8-21(14-19)33-12-11-29(3)4/h2*6-8,13-15,17,22H,5,9-12,16H2,1-4H3,(H2,26,27)(H,28,31)/t2*17-,22+/m00/s1.

What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 907.17 g/mol, XLogP of 6.21, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 165060620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).