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

C28H39N5O2 — CID 166022529

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

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2R)-1-methylpiperidin-2-yl]methyl]phenyl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 166022529) has the molecular formula C28H39N5O2 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2R)-1-methylpiperidin-2-yl]methyl]phenyl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2R)-1-methylpiperidin-2-yl]methyl]phenyl]piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 166022529
• Molecular Formula: C28H39N5O2
• Molecular Weight: 477.65 g/mol
• Exact Mass: 477.31
• IUPAC Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2R)-1-methylpiperidin-2-yl]methyl]phenyl]piperidin-1-yl]-2-oxoacetamide
• SMILES: CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(C[C@H]3CCCCN3C)c2)cnc1N
• InChI: InChI=1S/C28H39N5O2/c1-4-21-16-23(17-30-26(21)29)31-27(34)28(35)33-18-19(2)11-12-25(33)22-9-7-8-20(14-22)15-24-10-5-6-13-32(24)3/h7-9,14,16-17,19,24-25H,4-6,10-13,15,18H2,1-3H3,(H2,29,30)(H,31,34)/t19-,24+,25+/m0/s1
• InChIKey: JNBCGFLQPQZMNQ-QTLGCAHFSA-N
• XLogP: 4.19
• TPSA: 91.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.65
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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)-5-methyl-2-[3-[[(2R)-1-methylpiperidin-2-yl]methyl]phenyl]piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2R)-1-methylpiperidin-2-yl]methyl]phenyl]piperidin-1-yl]-2-oxoacetamide (CID 166022529) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2R)-1-methylpiperidin-2-yl]methyl]phenyl]piperidin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2R)-1-methylpiperidin-2-yl]methyl]phenyl]piperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(C[C@H]3CCCCN3C)c2)cnc1N.

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

The InChIKey is JNBCGFLQPQZMNQ-QTLGCAHFSA-N. The full InChI is InChI=1S/C28H39N5O2/c1-4-21-16-23(17-30-26(21)29)31-27(34)28(35)33-18-19(2)11-12-25(33)22-9-7-8-20(14-22)15-24-10-5-6-13-32(24)3/h7-9,14,16-17,19,24-25H,4-6,10-13,15,18H2,1-3H3,(H2,29,30)(H,31,34)/t19-,24+,25+/m0/s1.

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

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2R)-1-methylpiperidin-2-yl]methyl]phenyl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 477.65 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2R)-1-methylpiperidin-2-yl]methyl]phenyl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 166022529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).