3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol

C18H28N2O7 — CID 145346550

About 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol

3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol (PubChem CID 145346550) has the molecular formula C18H28N2O7 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol.

Molecular Properties

• Compound Name: 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol
• PubChem CID: 145346550
• Molecular Formula: C18H28N2O7
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.19
• IUPAC Name: 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol
• SMILES: CCCO.COc1ccnc(C(=O)N[C@H]2COCCCC(C)OC2=O)c1O
• InChI: InChI=1S/C15H20N2O6.C3H8O/c1-9-4-3-7-22-8-10(15(20)23-9)17-14(19)12-13(18)11(21-2)5-6-16-12;1-2-3-4/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,17,19);4H,2-3H2,1H3/t9?,10-;/m0./s1
• InChIKey: GVBULNQVZKMAQE-FTCYEJDNSA-N
• XLogP: 1.02
• TPSA: 127.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol?

The IUPAC name of 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol (CID 145346550) is 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol.

What is the SMILES notation for 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol?

The canonical SMILES for 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol is CCCO.COc1ccnc(C(=O)N[C@H]2COCCCC(C)OC2=O)c1O.

What is the InChIKey of 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol?

The InChIKey is GVBULNQVZKMAQE-FTCYEJDNSA-N. The full InChI is InChI=1S/C15H20N2O6.C3H8O/c1-9-4-3-7-22-8-10(15(20)23-9)17-14(19)12-13(18)11(21-2)5-6-16-12;1-2-3-4/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,17,19);4H,2-3H2,1H3/t9?,10-;/m0./s1.

What are the key properties of 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol?

3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol has a molecular weight of 384.43 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol is sourced from PubChem (CID 145346550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).