(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate

C19H32N2O8 — CID 142237797

IUPAC(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate
SMILESCC.CCCC(=O)OCOc1c(OC)ccnc1C(N)=O.COCCC(=O)OC
InChIInChI=1S/C12H16N2O5.C5H10O3.C2H6/c1-3-4-9(15)18-7-19-11-8(17-2)5-6-14-10(11)12(13)16;1-7-4-3-5(6)8-2;1-2/h5-6H,3-4,7H2,1-2H3,(H2,13,16);3-4H2,1-2H3;1-2H3
InChIKeyYZUVQXPJADLNNR-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.09
Rot. Bonds10

About (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate

(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate (PubChem CID 142237797) has the molecular formula C19H32N2O8 and a molecular weight of 416.47 g/mol. Its IUPAC name is (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate.

Molecular Properties

Compound Name(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate
PubChem CID142237797
Molecular FormulaC19H32N2O8
Molecular Weight416.47 g/mol
Exact Mass416.22
IUPAC Name(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate
SMILESCC.CCCC(=O)OCOc1c(OC)ccnc1C(N)=O.COCCC(=O)OC
InChIInChI=1S/C12H16N2O5.C5H10O3.C2H6/c1-3-4-9(15)18-7-19-11-8(17-2)5-6-14-10(11)12(13)16;1-7-4-3-5(6)8-2;1-2/h5-6H,3-4,7H2,1-2H3,(H2,13,16);3-4H2,1-2H3;1-2H3
InChIKeyYZUVQXPJADLNNR-UHFFFAOYSA-N
XLogP2.09
TPSA136.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal
CID 142237807
3-hydroxy-4-methoxypyridine-2-carboxamide;methyl cyclopentanecarboxylate;methyl 3-methoxypropanoate
CID 142237813
4-O-[[2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl] 1-O-methyl butanedioate
CID 146594584
1-[4-methoxy-3-(methoxymethoxy)-2-pyridinyl]ethenamine
CID 135269755
1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate;(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl 2-methylpropanoate
CID 145114247
3,4-dimethoxy-N-methylpyridine-2-carboxamide
CID 156506686
[(2S)-1-phenylpropan-2-yl] (2S)-2-[[4-methoxy-3-(3-methoxypropanoyloxy)pyridine-2-carbonyl]amino]propanoate
CID 145115332
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol
CID 145114784
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-fluoro-4-methylbenzene;(4-methoxy-4-methylpentan-2-yl) propanoate
CID 145115148
[(2S,3S)-3-benzylhexan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoate
CID 121462866
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate
CID 145114555
[2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate
CID 166705848

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate?
The IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate (CID 142237797) is (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate.
What is the SMILES notation for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate?
The canonical SMILES for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate is CC.CCCC(=O)OCOc1c(OC)ccnc1C(N)=O.COCCC(=O)OC.
What is the InChIKey of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate?
The InChIKey is YZUVQXPJADLNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5.C5H10O3.C2H6/c1-3-4-9(15)18-7-19-11-8(17-2)5-6-14-10(11)12(13)16;1-7-4-3-5(6)8-2;1-2/h5-6H,3-4,7H2,1-2H3,(H2,13,16);3-4H2,1-2H3;1-2H3.
What are the key properties of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate?
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate has a molecular weight of 416.47 g/mol, XLogP of 2.09, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate is sourced from PubChem (CID 142237797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).