ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate

C21H24N2O5 — CID 7287332

IUPACethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)n(CC)c(=O)c2[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C21H24N2O5/c1-5-23-12(3)11-15-17(20(23)24)16(13-7-9-14(26-4)10-8-13)18(19(22)28-15)21(25)27-6-2/h7-11,16H,5-6,22H2,1-4H3/t16-/m1/s1
InChIKeyXCXSQNYBNBCUCD-MRXNPFEDSA-N
MW384.43 g/mol
LogP2.44
Rot. Bonds5

About ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate

ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 7287332) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID7287332
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Nameethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)n(CC)c(=O)c2[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C21H24N2O5/c1-5-23-12(3)11-15-17(20(23)24)16(13-7-9-14(26-4)10-8-13)18(19(22)28-15)21(25)27-6-2/h7-11,16H,5-6,22H2,1-4H3/t16-/m1/s1
InChIKeyXCXSQNYBNBCUCD-MRXNPFEDSA-N
XLogP2.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475109
methyl 2-amino-6-ethyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4970140
methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287347
methyl (4S)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287346
methyl 2-amino-6-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3636800
methyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3773252
methyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-[[(2S)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41388682
ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475837
methyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475104
methyl (4R)-2-amino-6-benzyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41388703
methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287322
ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate
CID 3326186

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 7287332) is ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is CCOC(=O)C1=C(N)Oc2cc(C)n(CC)c(=O)c2[C@H]1c1ccc(OC)cc1.
What is the InChIKey of ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is XCXSQNYBNBCUCD-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-5-23-12(3)11-15-17(20(23)24)16(13-7-9-14(26-4)10-8-13)18(19(22)28-15)21(25)27-6-2/h7-11,16H,5-6,22H2,1-4H3/t16-/m1/s1.
What are the key properties of ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 384.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 7287332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).