6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide

C16H22IN3O3 — CID 71906921

About 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide

6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide (PubChem CID 71906921) has the molecular formula C16H22IN3O3 and a molecular weight of 431.27 g/mol. Its IUPAC name is 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide
• PubChem CID: 71906921
• Molecular Formula: C16H22IN3O3
• Molecular Weight: 431.27 g/mol
• Exact Mass: 431.07
• IUPAC Name: 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide
• SMILES: COc1ccc(C(=O)NC(C)C(=O)N2CCCCC2C)nc1I
• InChI: InChI=1S/C16H22IN3O3/c1-10-6-4-5-9-20(10)16(22)11(2)18-15(21)12-7-8-13(23-3)14(17)19-12/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,21)
• InChIKey: YKYZQRUGDPCVLH-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.27
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide?

The IUPAC name of 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide (CID 71906921) is 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide is COc1ccc(C(=O)NC(C)C(=O)N2CCCCC2C)nc1I.

What is the InChIKey of 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide?

The InChIKey is YKYZQRUGDPCVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22IN3O3/c1-10-6-4-5-9-20(10)16(22)11(2)18-15(21)12-7-8-13(23-3)14(17)19-12/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,21).

What are the key properties of 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide?

6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide has a molecular weight of 431.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71906921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).