ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate

C24H24N2O6 — CID 4738230

IUPACethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)C1c1cccc(OC)c1OC
InChIInChI=1S/C24H24N2O6/c1-5-31-24(27)20-19(16-7-6-8-18(29-3)22(16)30-4)17(13-25)23(26)32-21(20)14-9-11-15(28-2)12-10-14/h6-12,19H,5,26H2,1-4H3
InChIKeyDZBHUJDSWIHRMX-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.49
Rot. Bonds7

About ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate

ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate (PubChem CID 4738230) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate
PubChem CID4738230
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Nameethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)C1c1cccc(OC)c1OC
InChIInChI=1S/C24H24N2O6/c1-5-31-24(27)20-19(16-7-6-8-18(29-3)22(16)30-4)17(13-25)23(26)32-21(20)14-9-11-15(28-2)12-10-14/h6-12,19H,5,26H2,1-4H3
InChIKeyDZBHUJDSWIHRMX-UHFFFAOYSA-N
XLogP3.49
TPSA113.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 777256
ethyl 6-amino-5-cyano-2-(4-methoxyphenyl)-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 3154897
ethyl 6-amino-5-cyano-4-[2-(2,2-difluoroethoxy)-3-methoxyphenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169392230
ethyl 6-amino-5-cyano-4-[2-(3-cyanopropoxy)-3-methoxyphenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169392011
ethyl 6-amino-5-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169391658
ethyl (4S)-6-amino-5-cyano-4-(2-fluoro-5-methoxyphenyl)-2-phenyl-4H-pyran-3-carboxylate
CID 1003194
ethyl 6-amino-5-cyano-4-(4-methoxy-2-methylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169390462
ethyl 6-amino-5-cyano-4-[2-(cyanomethoxy)-4-methoxyphenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169391456
ethyl (4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-[(4-phenylquinazolin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate
CID 98157819
ethyl (4R)-6-amino-5-cyano-4-(2-methoxyphenyl)-2-propyl-4H-pyran-3-carboxylate
CID 698823
ethyl (4R)-6-amino-5-cyano-4-(3,5-dimethoxyphenyl)-2-phenyl-4H-pyran-3-carboxylate
CID 1239535
ethyl (4S)-6-amino-5-cyano-4-(3,5-dibromo-2-methoxyphenyl)-2-phenyl-4H-pyran-3-carboxylate
CID 1017415

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate (CID 4738230) is ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate is CCOC(=O)C1=C(c2ccc(OC)cc2)OC(N)=C(C#N)C1c1cccc(OC)c1OC.
What is the InChIKey of ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate?
The InChIKey is DZBHUJDSWIHRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-5-31-24(27)20-19(16-7-6-8-18(29-3)22(16)30-4)17(13-25)23(26)32-21(20)14-9-11-15(28-2)12-10-14/h6-12,19H,5,26H2,1-4H3.
What are the key properties of ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate?
ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate has a molecular weight of 436.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-pyran-3-carboxylate is sourced from PubChem (CID 4738230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).