3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide

C23H28N2O8 — CID 121460465

IUPAC3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N[C@H]2CCOC[C@H](OC)[C@@H](Oc3ccccc3)[C@H](C)OC2=O)c1O
InChIInChI=1S/C23H28N2O8/c1-14-21(33-15-7-5-4-6-8-15)18(30-3)13-31-12-10-16(23(28)32-14)25-22(27)19-20(26)17(29-2)9-11-24-19/h4-9,11,14,16,18,21,26H,10,12-13H2,1-3H3,(H,25,27)/t14-,16-,18-,21-/m0/s1
InChIKeyINDMUFYAXCIMQM-MWUWBQKZSA-N
MW460.48 g/mol
LogP1.71
Rot. Bonds6

About 3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide (PubChem CID 121460465) has the molecular formula C23H28N2O8 and a molecular weight of 460.48 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide
PubChem CID121460465
Molecular FormulaC23H28N2O8
Molecular Weight460.48 g/mol
Exact Mass460.18
IUPAC Name3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N[C@H]2CCOC[C@H](OC)[C@@H](Oc3ccccc3)[C@H](C)OC2=O)c1O
InChIInChI=1S/C23H28N2O8/c1-14-21(33-15-7-5-4-6-8-15)18(30-3)13-31-12-10-16(23(28)32-14)25-22(27)19-20(26)17(29-2)9-11-24-19/h4-9,11,14,16,18,21,26H,10,12-13H2,1-3H3,(H,25,27)/t14-,16-,18-,21-/m0/s1
InChIKeyINDMUFYAXCIMQM-MWUWBQKZSA-N
XLogP1.71
TPSA125.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

3-hydroxy-4-methoxy-N-[9-methyl-7-(2-methylpropoxy)-2-oxo-8-phenoxyoxonan-3-yl]pyridine-2-carboxamide
CID 123654158
[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate
CID 123778152
N-[(3S,8R,9S)-8-benzyl-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 130196633
3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide
CID 130196636
3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-propoxy-1,5-dioxonan-3-yl]pyridine-2-carboxamide
CID 130198937
N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 130205259
[4-methoxy-2-[[(3S,8S,9S,10S)-10-methyl-2-oxo-8,9-diphenoxyoxecan-3-yl]carbamoyl]-3-pyridinyl]oxymethyl acetate
CID 121460363
N-[8-benzyl-9-methyl-2-oxo-7-(phenylmethoxymethoxy)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 123279127
3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide
CID 123901782
[4-methoxy-2-[[(3S,7S,8S,9S)-8-methoxy-9-methyl-2-oxo-7-phenoxyoxonan-3-yl]carbamoyl]-3-pyridinyl]oxymethyl acetate
CID 90270762
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol
CID 145346550
N-(7-benzyl-8-hydroxy-9-methyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 20798330

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide (CID 121460465) is 3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide is COc1ccnc(C(=O)N[C@H]2CCOC[C@H](OC)[C@@H](Oc3ccccc3)[C@H](C)OC2=O)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide?
The InChIKey is INDMUFYAXCIMQM-MWUWBQKZSA-N. The full InChI is InChI=1S/C23H28N2O8/c1-14-21(33-15-7-5-4-6-8-15)18(30-3)13-31-12-10-16(23(28)32-14)25-22(27)19-20(26)17(29-2)9-11-24-19/h4-9,11,14,16,18,21,26H,10,12-13H2,1-3H3,(H,25,27)/t14-,16-,18-,21-/m0/s1.
What are the key properties of 3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 121460465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).