N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

C22H25FN2O6 — CID 130205259

IUPACN-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N[C@H]2CCCC[C@@H](Oc3ccc(F)cc3)[C@H](C)OC2=O)c1O
InChIInChI=1S/C22H25FN2O6/c1-13-17(31-15-9-7-14(23)8-10-15)6-4-3-5-16(22(28)30-13)25-21(27)19-20(26)18(29-2)11-12-24-19/h7-13,16-17,26H,3-6H2,1-2H3,(H,25,27)/t13-,16-,17+/m0/s1
InChIKeyDUIBZYDCYYCISK-RRQGHBQHSA-N
MW432.45 g/mol
LogP2.99
Rot. Bonds5

About N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 130205259) has the molecular formula C22H25FN2O6 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID130205259
Molecular FormulaC22H25FN2O6
Molecular Weight432.45 g/mol
Exact Mass432.17
IUPAC NameN-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)N[C@H]2CCCC[C@@H](Oc3ccc(F)cc3)[C@H](C)OC2=O)c1O
InChIInChI=1S/C22H25FN2O6/c1-13-17(31-15-9-7-14(23)8-10-15)6-4-3-5-16(22(28)30-13)25-21(27)19-20(26)18(29-2)11-12-24-19/h7-13,16-17,26H,3-6H2,1-2H3,(H,25,27)/t13-,16-,17+/m0/s1
InChIKeyDUIBZYDCYYCISK-RRQGHBQHSA-N
XLogP2.99
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide with MolForge

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Related Compounds

[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate
CID 123778152
N-[(3S,4R,9S)-4-(4-fluorophenoxy)-3-methyl-2,11-dioxabicyclo[8.1.0]undecan-9-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145346527
3-hydroxy-4-methoxy-N-[9-methyl-7-(2-methylpropoxy)-2-oxo-8-phenoxyoxonan-3-yl]pyridine-2-carboxamide
CID 123654158
3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide
CID 123901782
[2-[[8-(4-fluorophenoxy)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]carbamoyl]-4-methoxy-3-pyridinyl]oxymethyl 2-[2-[[7-(4-fluorophenoxy)-9-methyl-2-oxo-8-propoxyoxonan-3-yl]carbamoyl]-3-hydroxy-4-methoxypyridin-1-ium-1-yl]acetate
CID 123595125
N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118652450
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
[4-methoxy-2-[[(3S,8S,9S,10S)-10-methyl-2-oxo-8,9-diphenoxyoxecan-3-yl]carbamoyl]-3-pyridinyl]oxymethyl acetate
CID 121460363
1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide
CID 144877321
3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide
CID 123458063
[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-4-(3-methylbutyl)-9-oxooxonan-3-yl] cyclopentanecarboxylate
CID 123604198
N-[(3S,7R,8R,9S)-7-benzyl-8-cyclopentyl-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118501745

Frequently Asked Questions

What is the IUPAC name of N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (CID 130205259) is N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)N[C@H]2CCCC[C@@H](Oc3ccc(F)cc3)[C@H](C)OC2=O)c1O.
What is the InChIKey of N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is DUIBZYDCYYCISK-RRQGHBQHSA-N. The full InChI is InChI=1S/C22H25FN2O6/c1-13-17(31-15-9-7-14(23)8-10-15)6-4-3-5-16(22(28)30-13)25-21(27)19-20(26)18(29-2)11-12-24-19/h7-13,16-17,26H,3-6H2,1-2H3,(H,25,27)/t13-,16-,17+/m0/s1.
What are the key properties of N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 130205259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).