(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate

C16H17NO6 — CID 2098215

IUPAC(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C16H17NO6/c1-4-21-14-12(6-5-7-17-14)16(19)22-9-11-8-13(10(2)23-11)15(18)20-3/h5-8H,4,9H2,1-3H3
InChIKeyYDFHSGBXPVWDIU-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.53
Rot. Bonds6

About (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate (PubChem CID 2098215) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
PubChem CID2098215
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C16H17NO6/c1-4-21-14-12(6-5-7-17-14)16(19)22-9-11-8-13(10(2)23-11)15(18)20-3/h5-8H,4,9H2,1-3H3
InChIKeyYDFHSGBXPVWDIU-UHFFFAOYSA-N
XLogP2.53
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate 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

benzyl 2-ethoxypyridine-3-carboxylate
CID 2369615
methyl 2-methyl-5-[[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]methyl]furan-3-carboxylate
CID 31966993
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
methyl 5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60761601
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
CID 18777229
(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2630298
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707731
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726770
(7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 4027480
methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 75483063
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-ethoxypyridine-3-carboxylate
CID 55315243
methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate
CID 8553043

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate (CID 2098215) is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCc1cc(C(=O)OC)c(C)o1.
What is the InChIKey of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
The InChIKey is YDFHSGBXPVWDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-4-21-14-12(6-5-7-17-14)16(19)22-9-11-8-13(10(2)23-11)15(18)20-3/h5-8H,4,9H2,1-3H3.
What are the key properties of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate?
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate has a molecular weight of 319.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2098215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).