1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide

C26H35FN2O6 — CID 144877321

IUPAC1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide
SMILESCCCOC1CCC[C@H](NC(=O)c2nccc(OC)c2O)C(=O)OC(C)C1.Cc1ccc(F)cc1
InChIInChI=1S/C19H28N2O6.C7H7F/c1-4-10-26-13-6-5-7-14(19(24)27-12(2)11-13)21-18(23)16-17(22)15(25-3)8-9-20-16;1-6-2-4-7(8)5-3-6/h8-9,12-14,22H,4-7,10-11H2,1-3H3,(H,21,23);2-5H,1H3/t12?,13?,14-;/m0./s1
InChIKeyZJWYPAOBQIWAHD-WTMFEIAXSA-N
MW490.57 g/mol
LogP4.33
Rot. Bonds6

About 1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide

1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide (PubChem CID 144877321) has the molecular formula C26H35FN2O6 and a molecular weight of 490.57 g/mol. Its IUPAC name is 1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide
PubChem CID144877321
Molecular FormulaC26H35FN2O6
Molecular Weight490.57 g/mol
Exact Mass490.25
IUPAC Name1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide
SMILESCCCOC1CCC[C@H](NC(=O)c2nccc(OC)c2O)C(=O)OC(C)C1.Cc1ccc(F)cc1
InChIInChI=1S/C19H28N2O6.C7H7F/c1-4-10-26-13-6-5-7-14(19(24)27-12(2)11-13)21-18(23)16-17(22)15(25-3)8-9-20-16;1-6-2-4-7(8)5-3-6/h8-9,12-14,22H,4-7,10-11H2,1-3H3,(H,21,23);2-5H,1H3/t12?,13?,14-;/m0./s1
InChIKeyZJWYPAOBQIWAHD-WTMFEIAXSA-N
XLogP4.33
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide
CID 123458063
N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 130205259
N-[(3S)-8-[(4-fluorophenyl)methyl]-10-methyl-2-oxo-1,5-dioxecan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115057
N-[7-(cyclohexa-1,3-dien-1-ylmethyl)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;ethane
CID 144822169
N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 123512707
3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-propoxy-1,5-dioxonan-3-yl]pyridine-2-carboxamide
CID 130198937
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol
CID 145346550
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)-9-methyl-7-(3-methylbutyl)-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;toluene
CID 144995844
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
[(2S,4S,8S)-8-[[3-[(2-ethoxyacetyl)oxymethoxy]-4-methoxypyridine-2-carbonyl]amino]-2-methyl-9-oxooxonan-4-yl] 2-methylpropanoate
CID 144877322

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide (CID 144877321) is 1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide is CCCOC1CCC[C@H](NC(=O)c2nccc(OC)c2O)C(=O)OC(C)C1.Cc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide?
The InChIKey is ZJWYPAOBQIWAHD-WTMFEIAXSA-N. The full InChI is InChI=1S/C19H28N2O6.C7H7F/c1-4-10-26-13-6-5-7-14(19(24)27-12(2)11-13)21-18(23)16-17(22)15(25-3)8-9-20-16;1-6-2-4-7(8)5-3-6/h8-9,12-14,22H,4-7,10-11H2,1-3H3,(H,21,23);2-5H,1H3/t12?,13?,14-;/m0./s1.
What are the key properties of 1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide?
1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 144877321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).