ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate

C19H16N2O4 — CID 662548

IUPACethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccco1
InChIInChI=1S/C19H16N2O4/c1-2-23-19(22)16-15(14-9-6-10-24-14)13(11-20)18(21)25-17(16)12-7-4-3-5-8-12/h3-10,15H,2,21H2,1H3
InChIKeyWFIGJQPHTVDSIS-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.06
Rot. Bonds4

About ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate

ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate (PubChem CID 662548) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate
PubChem CID662548
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Nameethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccco1
InChIInChI=1S/C19H16N2O4/c1-2-23-19(22)16-15(14-9-6-10-24-14)13(11-20)18(21)25-17(16)12-7-4-3-5-8-12/h3-10,15H,2,21H2,1H3
InChIKeyWFIGJQPHTVDSIS-UHFFFAOYSA-N
XLogP3.06
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Acetyl-2-amino-4-(2-furanyl)-6-methyl-4H-pyran-3-carbonitrile
CID 540386
2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
CID 3156318
ethyl (2E)-2-cyano-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enoate
CID 726341
ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-propyl-4H-pyran-3-carboxylate
CID 3160917
prop-2-en-1-yl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
CID 534380
Ethyl 2-cyano-3-(5-phenylfuran-2-yl)acrylate
CID 678345
Cambridge id 5278572
CID 2839149
ethyl 6-amino-5-cyano-2-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carboxylate
CID 3129415
2-Amino-4-((E)-2-furan-2-yl-1-methyl-vinyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 5769217
2-amino-4-(furan-2-yl)-6-hydroxy-5,8-dioxo-7-undecyl-4H-chromene-3-carbonitrile
CID 145982009
methyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate
CID 2951768
2-Amino-4-furan-2-yl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylic acid ethyl ester
CID 651256

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate (CID 662548) is ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate is CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccco1.
What is the InChIKey of ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate?
The InChIKey is WFIGJQPHTVDSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-23-19(22)16-15(14-9-6-10-24-14)13(11-20)18(21)25-17(16)12-7-4-3-5-8-12/h3-10,15H,2,21H2,1H3.
What are the key properties of ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate?
ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate is sourced from PubChem (CID 662548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).