N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen

C22H28N6O2 — CID 167571171

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen (PubChem CID 167571171) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen
• PubChem CID: 167571171
• Molecular Formula: C22H28N6O2
• Molecular Weight: 408.51 g/mol
• Exact Mass: 408.23
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen
• SMILES: Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3c(cnn3C)c2)cnc1N.[H][H]
• InChI: InChI=1S/C22H26N6O2.H2/c1-13-4-6-19(15-5-7-18-16(9-15)10-25-27(18)3)28(12-13)22(30)21(29)26-17-8-14(2)20(23)24-11-17;/h5,7-11,13,19H,4,6,12H2,1-3H3,(H2,23,24)(H,26,29);1H/t13-,19+;/m1./s1
• InChIKey: FXROKOAGSNULED-QVRIGTRMSA-N
• XLogP: 3.04
• TPSA: 106.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.51
LogP ≤ 5	3.04
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-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen (CID 167571171) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen.

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

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen is Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3c(cnn3C)c2)cnc1N.[H][H].

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

The InChIKey is FXROKOAGSNULED-QVRIGTRMSA-N. The full InChI is InChI=1S/C22H26N6O2.H2/c1-13-4-6-19(15-5-7-18-16(9-15)10-25-27(18)3)28(12-13)22(30)21(29)26-17-8-14(2)20(23)24-11-17;/h5,7-11,13,19H,4,6,12H2,1-3H3,(H2,23,24)(H,26,29);1H/t13-,19+;/m1./s1.

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen has a molecular weight of 408.51 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen is sourced from PubChem (CID 167571171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).