(4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate

C16H15N2O5- — CID 7774474

IUPAC(4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate
SMILESCOc1ccc(OC)c([C@@H]2C(C#N)=C(C)OC(N)=C2C(=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-8-11(7-17)13(14(16(19)20)15(18)23-8)10-6-9(21-2)4-5-12(10)22-3/h4-6,13H,18H2,1-3H3,(H,19,20)/p-1/t13-/m1/s1
InChIKeyDSSLMUGQZBSAJF-CYBMUJFWSA-M
MW315.31 g/mol
LogP0.54
Rot. Bonds4

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

(4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate (PubChem CID 7774474) has the molecular formula C16H15N2O5- and a molecular weight of 315.31 g/mol. Its IUPAC name is (4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate.

Molecular Properties

Compound Name(4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate
PubChem CID7774474
Molecular FormulaC16H15N2O5-
Molecular Weight315.31 g/mol
Exact Mass315.10
IUPAC Name(4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate
SMILESCOc1ccc(OC)c([C@@H]2C(C#N)=C(C)OC(N)=C2C(=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-8-11(7-17)13(14(16(19)20)15(18)23-8)10-6-9(21-2)4-5-12(10)22-3/h4-6,13H,18H2,1-3H3,(H,19,20)/p-1/t13-/m1/s1
InChIKeyDSSLMUGQZBSAJF-CYBMUJFWSA-M
XLogP0.54
TPSA117.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-amino-5-cyano-4-(2,5-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 3240776
ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 777256
(4R)-2-amino-4-(2,5-dimethoxyphenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile
CID 1023306
ethyl 6-amino-4-(2-bromo-5-methoxyphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 169390349
2-amino-6-tert-butyl-4-(2,5-dimethoxyphenyl)-4H-pyran-3,5-dicarbonitrile
CID 5159352
ethyl 6-amino-5-cyano-4-(4-methoxy-2-methylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169390462
[3-(2-amino-3-cyano-5-ethoxycarbonyl-6-methyl-4H-pyran-4-yl)-4-methoxyphenyl]boronic acid
CID 169390451
ethyl 6-amino-5-cyano-4-[2-(cyanomethoxy)-4-methoxyphenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169391456
methyl 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-ethyl-4H-pyran-3-carboxylate
CID 3773376
2,7-diamino-4,9-bis(2-hydroxy-5-methoxyphenyl)-5,10-dioxo-4,9-dihydropyrano[2,3-g]chromene-3,8-dicarbonitrile
CID 102301018
(4S)-2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 749381
ethyl 6-amino-5-cyano-4-(2-hydroxy-5-methoxy-3-methylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169391105

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate?
The IUPAC name of (4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate (CID 7774474) is (4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate.
What is the SMILES notation for (4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate?
The canonical SMILES for (4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate is COc1ccc(OC)c([C@@H]2C(C#N)=C(C)OC(N)=C2C(=O)[O-])c1.
What is the InChIKey of (4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate?
The InChIKey is DSSLMUGQZBSAJF-CYBMUJFWSA-M. The full InChI is InChI=1S/C16H16N2O5/c1-8-11(7-17)13(14(16(19)20)15(18)23-8)10-6-9(21-2)4-5-12(10)22-3/h4-6,13H,18H2,1-3H3,(H,19,20)/p-1/t13-/m1/s1.
What are the key properties of (4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate?
(4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate has a molecular weight of 315.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-5-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-4H-pyran-3-carboxylate is sourced from PubChem (CID 7774474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).