ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C14H14N2O4 — CID 658686

IUPACethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)C(C#N)C1c1ccco1
InChIInChI=1S/C14H14N2O4/c1-3-19-14(18)11-8(2)16-13(17)9(7-15)12(11)10-5-4-6-20-10/h4-6,9,12H,3H2,1-2H3,(H,16,17)
InChIKeyAUCSFFLGBVKTPS-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.47
Rot. Bonds3

About ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 658686) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID658686
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)C(C#N)C1c1ccco1
InChIInChI=1S/C14H14N2O4/c1-3-19-14(18)11-8(2)16-13(17)9(7-15)12(11)10-5-4-6-20-10/h4-6,9,12H,3H2,1-2H3,(H,16,17)
InChIKeyAUCSFFLGBVKTPS-UHFFFAOYSA-N
XLogP1.47
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Diethyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 211446
3,5-Dimethyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 206197
Diallyl 4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 2891717
4-(2-Furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide
CID 675065
3-Ethyl 5-methyl 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 2832255
2,6-Dimethyl-4-(5-methyl-2-furyl)-1,4-dihydro-3,5-pyridinedicarboxamide
CID 965836
6-Methyl 3-propan-2-yl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
CID 2962881
ethyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 24827998
Butyl 4-(furan-2-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3138775
ethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 76328055
propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 127033950
Ethyl 4-(2-furyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CID 2845079

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 658686) is ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)C(C#N)C1c1ccco1.
What is the InChIKey of ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is AUCSFFLGBVKTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-19-14(18)11-8(2)16-13(17)9(7-15)12(11)10-5-4-6-20-10/h4-6,9,12H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 658686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).