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

C27H37N5O3 — CID 164753764

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

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 164753764) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 164753764
• Molecular Formula: C27H37N5O3
• Molecular Weight: 479.63 g/mol
• Exact Mass: 479.29
• IUPAC Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]piperidin-1-yl]-2-oxoacetamide
• SMILES: CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(OC[C@@H]3CCCN3C)c2)cnc1N
• InChI: InChI=1S/C27H37N5O3/c1-4-19-13-21(15-29-25(19)28)30-26(33)27(34)32-16-18(2)10-11-24(32)20-7-5-9-23(14-20)35-17-22-8-6-12-31(22)3/h5,7,9,13-15,18,22,24H,4,6,8,10-12,16-17H2,1-3H3,(H2,28,29)(H,30,33)/t18-,22-,24+/m0/s1
• InChIKey: SBMAVFMUDACGGL-JKFKMHIGSA-N
• XLogP: 3.64
• TPSA: 100.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.63
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]piperidin-1-yl]-2-oxoacetamide (CID 164753764) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]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-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]piperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]piperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(OC[C@@H]3CCCN3C)c2)cnc1N.

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

The InChIKey is SBMAVFMUDACGGL-JKFKMHIGSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-4-19-13-21(15-29-25(19)28)30-26(33)27(34)32-16-18(2)10-11-24(32)20-7-5-9-23(14-20)35-17-22-8-6-12-31(22)3/h5,7,9,13-15,18,22,24H,4,6,8,10-12,16-17H2,1-3H3,(H2,28,29)(H,30,33)/t18-,22-,24+/m0/s1.

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

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 479.63 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164753764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).