methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate

C14H11N3O4 — CID 108757223

IUPACmethyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)c2cccnc2)c1C#N
InChIInChI=1S/C14H11N3O4/c1-8-11(14(19)20-2)10(6-15)13(21-8)17-12(18)9-4-3-5-16-7-9/h3-5,7H,1-2H3,(H,17,18)
InChIKeyQHNZOOBYPGSIII-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.89
Rot. Bonds3

About methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate

methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate (PubChem CID 108757223) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate
PubChem CID108757223
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Namemethyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)c2cccnc2)c1C#N
InChIInChI=1S/C14H11N3O4/c1-8-11(14(19)20-2)10(6-15)13(21-8)17-12(18)9-4-3-5-16-7-9/h3-5,7H,1-2H3,(H,17,18)
InChIKeyQHNZOOBYPGSIII-UHFFFAOYSA-N
XLogP1.89
TPSA105.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757369
methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108733932
methyl 3-[(3-cyano-4,5-dimethylfuran-2-yl)carbamoyl]benzoate
CID 108740250
methyl 4-cyano-2-methyl-5-(4-phenoxybutanoylamino)furan-3-carboxylate
CID 108757360
dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate
CID 896695
methyl 4-cyano-2-methyl-5-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]furan-3-carboxylate
CID 108733987
methyl 5-(2-chloropropanoylamino)-4-cyano-2-methylfuran-3-carboxylate
CID 108733953
methyl 4-cyano-2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108757311
(111C)methyl pyridine-3-carboxylate
CID 11309537
methyl 4-ethyl-5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
CID 807614
4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid
CID 108781671
N-(3-cyano-4,5-dimethylfuran-2-yl)-3,5-dimethoxybenzamide
CID 108762746

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate?
The IUPAC name of methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate (CID 108757223) is methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate.
What is the SMILES notation for methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate?
The canonical SMILES for methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate is COC(=O)c1c(C)oc(NC(=O)c2cccnc2)c1C#N.
What is the InChIKey of methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate?
The InChIKey is QHNZOOBYPGSIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c1-8-11(14(19)20-2)10(6-15)13(21-8)17-12(18)9-4-3-5-16-7-9/h3-5,7H,1-2H3,(H,17,18).
What are the key properties of methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate?
methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate has a molecular weight of 285.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate is sourced from PubChem (CID 108757223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).