methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate

C15H14N2O4 — CID 891684

IUPACmethyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2nc(C)cc(C)c2C#N)o1
InChIInChI=1S/C15H14N2O4/c1-9-6-10(2)17-14(12(9)7-16)20-8-11-4-5-13(21-11)15(18)19-3/h4-6H,8H2,1-3H3
InChIKeySXCLIETXBFWMMS-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.53
Rot. Bonds4

About methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate

methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate (PubChem CID 891684) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate
PubChem CID891684
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Namemethyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2nc(C)cc(C)c2C#N)o1
InChIInChI=1S/C15H14N2O4/c1-9-6-10(2)17-14(12(9)7-16)20-8-11-4-5-13(21-11)15(18)19-3/h4-6H,8H2,1-3H3
InChIKeySXCLIETXBFWMMS-UHFFFAOYSA-N
XLogP2.53
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate with MolForge

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Related Compounds

2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177256
methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate
CID 59144065
methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 7695683
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
methyl 5-[(2-bromo-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913563
methyl 5-[[4-(5-cyano-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate
CID 168587523
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
5-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-carboxylate
CID 4142272
4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349314
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate (CID 891684) is methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COc2nc(C)cc(C)c2C#N)o1.
What is the InChIKey of methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate?
The InChIKey is SXCLIETXBFWMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-6-10(2)17-14(12(9)7-16)20-8-11-4-5-13(21-11)15(18)19-3/h4-6H,8H2,1-3H3.
What are the key properties of methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate?
methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 891684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).