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

C19H28N2O9 — CID 145346574

IUPAC3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate
SMILESCOC(=O)CCO.COc1ccnc(C(=O)N[C@H]2COCCCC(C)OC2=O)c1O
InChIInChI=1S/C15H20N2O6.C4H8O3/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;1-7-4(6)2-3-5/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,17,19);5H,2-3H2,1H3/t9?,10-;/m0./s1
InChIKeyHBJGIRHKBDMNCC-FTCYEJDNSA-N
MW428.44 g/mol
LogP0.18
Rot. Bonds5

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

3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate (PubChem CID 145346574) has the molecular formula C19H28N2O9 and a molecular weight of 428.44 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate
PubChem CID145346574
Molecular FormulaC19H28N2O9
Molecular Weight428.44 g/mol
Exact Mass428.18
IUPAC Name3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate
SMILESCOC(=O)CCO.COc1ccnc(C(=O)N[C@H]2COCCCC(C)OC2=O)c1O
InChIInChI=1S/C15H20N2O6.C4H8O3/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;1-7-4(6)2-3-5/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,17,19);5H,2-3H2,1H3/t9?,10-;/m0./s1
InChIKeyHBJGIRHKBDMNCC-FTCYEJDNSA-N
XLogP0.18
TPSA153.51 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol
CID 145346550
N-[(3S)-8-[(4-fluorophenyl)methyl]-10-methyl-2-oxo-1,5-dioxecan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115057
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-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
N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 123222501
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-7-(3-methylbutyl)-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;toluene
CID 144995844
N-[(3S)-7-[(3Z)-3-ethenylhexa-3,5-dienyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;(3E)-hexa-1,3,5-trien-3-ol
CID 144822082
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
[3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate
CID 123163013
N-[(3S,7R,8R,9S)-7-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118653473
N-cyclobutyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088893

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;methyl 3-hydroxypropanoate?
The IUPAC name of 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate (CID 145346574) is 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate is COC(=O)CCO.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;methyl 3-hydroxypropanoate?
The InChIKey is HBJGIRHKBDMNCC-FTCYEJDNSA-N. The full InChI is InChI=1S/C15H20N2O6.C4H8O3/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;1-7-4(6)2-3-5/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,17,19);5H,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;methyl 3-hydroxypropanoate?
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate has a molecular weight of 428.44 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 10 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;methyl 3-hydroxypropanoate is sourced from PubChem (CID 145346574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).