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

C20H21ClN2O5 — CID 16833129

IUPACmethyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOCCn1c(C)cc2c(c1=O)C(c1ccccc1Cl)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C20H21ClN2O5/c1-11-10-14-16(19(24)23(11)8-9-26-2)15(12-6-4-5-7-13(12)21)17(18(22)28-14)20(25)27-3/h4-7,10,15H,8-9,22H2,1-3H3
InChIKeyWJWOUMGJSUZBMY-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.32
Rot. Bonds5

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

methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 16833129) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID16833129
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Namemethyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOCCn1c(C)cc2c(c1=O)C(c1ccccc1Cl)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C20H21ClN2O5/c1-11-10-14-16(19(24)23(11)8-9-26-2)15(12-6-4-5-7-13(12)21)17(18(22)28-14)20(25)27-3/h4-7,10,15H,8-9,22H2,1-3H3
InChIKeyWJWOUMGJSUZBMY-UHFFFAOYSA-N
XLogP2.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 16833129) is methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is COCCn1c(C)cc2c(c1=O)C(c1ccccc1Cl)C(C(=O)OC)=C(N)O2.
What is the InChIKey of methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is WJWOUMGJSUZBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-11-10-14-16(19(24)23(11)8-9-26-2)15(12-6-4-5-7-13(12)21)17(18(22)28-14)20(25)27-3/h4-7,10,15H,8-9,22H2,1-3H3.
What are the key properties of methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 404.85 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 16833129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).