N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide

C21H27N5O2 — CID 175638055

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 175638055) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 175638055
• Molecular Formula: C21H27N5O2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.22
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
• SMILES: Cc1ccc([C@]2(C)CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)cn1
• InChI: InChI=1S/C21H27N5O2/c1-13-7-8-21(4,16-6-5-15(3)23-10-16)26(12-13)20(28)19(27)25-17-9-14(2)18(22)24-11-17/h5-6,9-11,13H,7-8,12H2,1-4H3,(H2,22,24)(H,25,27)/t13-,21-/m0/s1
• InChIKey: RERJRRKSXSXUGF-ZSEKCTLFSA-N
• XLogP: 2.79
• TPSA: 101.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	2.79
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-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide (CID 175638055) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide is Cc1ccc([C@]2(C)CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)cn1.

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

The InChIKey is RERJRRKSXSXUGF-ZSEKCTLFSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13-7-8-21(4,16-6-5-15(3)23-10-16)26(12-13)20(28)19(27)25-17-9-14(2)18(22)24-11-17/h5-6,9-11,13H,7-8,12H2,1-4H3,(H2,22,24)(H,25,27)/t13-,21-/m0/s1.

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 381.48 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 175638055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).