(2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate

C14H19NO6 — CID 146594378

IUPAC(2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate
SMILESCCCOC(C)C(=O)OCOc1c(OC)ccnc1C=O
InChIInChI=1S/C14H19NO6/c1-4-7-19-10(2)14(17)21-9-20-13-11(8-16)15-6-5-12(13)18-3/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyFELNSBFQRPABNF-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.60
Rot. Bonds9

About (2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate

(2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate (PubChem CID 146594378) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate.

Molecular Properties

Compound Name(2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate
PubChem CID146594378
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate
SMILESCCCOC(C)C(=O)OCOc1c(OC)ccnc1C=O
InChIInChI=1S/C14H19NO6/c1-4-7-19-10(2)14(17)21-9-20-13-11(8-16)15-6-5-12(13)18-3/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyFELNSBFQRPABNF-UHFFFAOYSA-N
XLogP1.60
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
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'}

Analyze (2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-formyl-4-methoxy-3-pyridinyl) propaneperoxoate
CID 146594372
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl acetate;propanal
CID 142237807
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate
CID 142237797
ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate
CID 103172348
ethyl (2R)-2-(3-formyl-2-methoxyphenoxy)propanoate
CID 95239892
(2-formyl-4-methoxy-3-pyridinyl)oxymethyl acetate;(3Z)-3-methylhexa-1,3,5-triene;(7S)-4-methyl-7-(methylamino)-2-propyl-1,5-dioxonan-6-one
CID 144995988
(4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate
CID 146481396
butane;(3S)-7-cyclohexa-1,5-dien-1-yloxy-9-methyl-3-(methylamino)-1,5-dioxonan-2-one;(2-formyl-4-methoxy-3-pyridinyl)oxymethyl acetate
CID 144877354
[2-(3,4-dimethoxy-2-pyridinyl)-1-hydroxypropyl] carbamate
CID 141080022
[(2S)-1-propoxypropan-2-yl] (2R)-4-(3-acetyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 147944029
2-chloro-4-methoxy-3-(methoxymethoxy)pyridine
CID 102262534
1-phenyl-2-propoxypropan-1-one
CID 43801137

Frequently Asked Questions

What is the IUPAC name of (2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate?
The IUPAC name of (2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate (CID 146594378) is (2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate.
What is the SMILES notation for (2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate?
The canonical SMILES for (2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate is CCCOC(C)C(=O)OCOc1c(OC)ccnc1C=O.
What is the InChIKey of (2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate?
The InChIKey is FELNSBFQRPABNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-4-7-19-10(2)14(17)21-9-20-13-11(8-16)15-6-5-12(13)18-3/h5-6,8,10H,4,7,9H2,1-3H3.
What are the key properties of (2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate?
(2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate has a molecular weight of 297.31 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-4-methoxy-3-pyridinyl)oxymethyl 2-propoxypropanoate is sourced from PubChem (CID 146594378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).