(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal

C13H18N2O6 — CID 142237807

IUPAC(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal
SMILESCCC=O.COc1ccnc(C(N)=O)c1OCOC(C)=O
InChIInChI=1S/C10H12N2O5.C3H6O/c1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;1-2-3-4/h3-4H,5H2,1-2H3,(H2,11,14);3H,2H2,1H3
InChIKeyPWWKIPWQJSCPPO-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.68
Rot. Bonds6

About (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal

(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal (PubChem CID 142237807) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal.

Molecular Properties

Compound Name(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal
PubChem CID142237807
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal
SMILESCCC=O.COc1ccnc(C(N)=O)c1OCOC(C)=O
InChIInChI=1S/C10H12N2O5.C3H6O/c1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;1-2-3-4/h3-4H,5H2,1-2H3,(H2,11,14);3H,2H2,1H3
InChIKeyPWWKIPWQJSCPPO-UHFFFAOYSA-N
XLogP0.68
TPSA117.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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;1-cyclopentylpropan-2-yl propanoate;2-methylpropan-1-ol
CID 145114784
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate
CID 142237797
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;1-fluoro-4-methylbenzene;(4-methoxy-4-methylpentan-2-yl) propanoate
CID 145115148
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;2,5-difluorophenol;4-methylpentan-2-yl propanoate
CID 145114555
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
benzaldehyde;(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;8-methoxy-10-methyloxecan-2-one;pentan-1-ol
CID 145114961
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;3-fluorophenol;1-phenylpropan-2-yl 3-phenylpropanoate
CID 145115673
[(2S,3S)-4-methyl-3-(4-methylphenyl)pentan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoate
CID 135199485
[(2S)-1,1-bis(2-methoxyphenyl)propan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoate
CID 121463573
[(2S,3R)-2-[(2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoyl]oxy-4-methylpentan-3-yl] 2-methylpropanoate
CID 121466135
(2-acetyl-4-methoxy-3-pyridinyl) acetate
CID 58914368

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal?
The IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal (CID 142237807) is (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal.
What is the SMILES notation for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal?
The canonical SMILES for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal is CCC=O.COc1ccnc(C(N)=O)c1OCOC(C)=O.
What is the InChIKey of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal?
The InChIKey is PWWKIPWQJSCPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5.C3H6O/c1-6(13)16-5-17-9-7(15-2)3-4-12-8(9)10(11)14;1-2-3-4/h3-4H,5H2,1-2H3,(H2,11,14);3H,2H2,1H3.
What are the key properties of (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal?
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal has a molecular weight of 298.30 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal is sourced from PubChem (CID 142237807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).