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

C20H22N2O5 — CID 7287347

IUPACmethyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCn1c(C)cc2c(c1=O)[C@@H](c1cccc(OC)c1)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C20H22N2O5/c1-5-22-11(2)9-14-16(19(22)23)15(12-7-6-8-13(10-12)25-3)17(18(21)27-14)20(24)26-4/h6-10,15H,5,21H2,1-4H3/t15-/m1/s1
InChIKeyNPRWEIRPISUVEF-OAHLLOKOSA-N
MW370.41 g/mol
LogP2.05
Rot. Bonds4

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

methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 7287347) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID7287347
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCn1c(C)cc2c(c1=O)[C@@H](c1cccc(OC)c1)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C20H22N2O5/c1-5-22-11(2)9-14-16(19(22)23)15(12-7-6-8-13(10-12)25-3)17(18(21)27-14)20(24)26-4/h6-10,15H,5,21H2,1-4H3/t15-/m1/s1
InChIKeyNPRWEIRPISUVEF-OAHLLOKOSA-N
XLogP2.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

methyl (4S)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287346
ethyl 2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475109
methyl (4R)-2-amino-6-benzyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41388703
methyl 2-amino-6-ethyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4970140
ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287332
2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4893538
methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287322
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 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-7-methyl-5-oxo-4-phenyl-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7056332
methyl (4R)-2-amino-6-benzyl-4-[3-[hydroxy(oxido)amino]phenyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 163121044
methyl 2-amino-6-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3636800

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 7287347) is methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is CCn1c(C)cc2c(c1=O)[C@@H](c1cccc(OC)c1)C(C(=O)OC)=C(N)O2.
What is the InChIKey of methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is NPRWEIRPISUVEF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-5-22-11(2)9-14-16(19(22)23)15(12-7-6-8-13(10-12)25-3)17(18(21)27-14)20(24)26-4/h6-10,15H,5,21H2,1-4H3/t15-/m1/s1.
What are the key properties of methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 7287347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).