5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen

C20H30N4O4 — CID 167600347

About 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen

5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen (PubChem CID 167600347) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 167600347
• Molecular Formula: C20H30N4O4
• Molecular Weight: 390.48 g/mol
• Exact Mass: 390.23
• IUPAC Name: 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
• SMILES: COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C2CCCC2)cc1C(N)=O.[H][H]
• InChI: InChI=1S/C20H28N4O4.H2/c1-12-7-8-16(13-5-3-4-6-13)24(11-12)20(27)18(26)23-14-9-15(17(21)25)19(28-2)22-10-14;/h9-10,12-13,16H,3-8,11H2,1-2H3,(H2,21,25)(H,23,26);1H/t12-,16-;/m0./s1
• InChIKey: JQIHOJAGEIQYNI-MIRNQTQTSA-N
• XLogP: 2.19
• TPSA: 114.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	2.19
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 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen (CID 167600347) is 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen is COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C2CCCC2)cc1C(N)=O.[H][H].

What is the InChIKey of 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen?

The InChIKey is JQIHOJAGEIQYNI-MIRNQTQTSA-N. The full InChI is InChI=1S/C20H28N4O4.H2/c1-12-7-8-16(13-5-3-4-6-13)24(11-12)20(27)18(26)23-14-9-15(17(21)25)19(28-2)22-10-14;/h9-10,12-13,16H,3-8,11H2,1-2H3,(H2,21,25)(H,23,26);1H/t12-,16-;/m0./s1.

What are the key properties of 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen?

5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen has a molecular weight of 390.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 167600347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).