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

C20H20Cl2N2O5 — CID 16833132

IUPACmethyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOCCn1c(C)cc2c(c1=O)C(c1ccc(Cl)cc1Cl)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C20H20Cl2N2O5/c1-10-8-14-16(19(25)24(10)6-7-27-2)15(12-5-4-11(21)9-13(12)22)17(18(23)29-14)20(26)28-3/h4-5,8-9,15H,6-7,23H2,1-3H3
InChIKeyDIYCEQIDQSUAHA-UHFFFAOYSA-N
MW439.30 g/mol
LogP2.98
Rot. Bonds5

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

methyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 16833132) has the molecular formula C20H20Cl2N2O5 and a molecular weight of 439.30 g/mol. Its IUPAC name is methyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID16833132
Molecular FormulaC20H20Cl2N2O5
Molecular Weight439.30 g/mol
Exact Mass438.07
IUPAC Namemethyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOCCn1c(C)cc2c(c1=O)C(c1ccc(Cl)cc1Cl)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C20H20Cl2N2O5/c1-10-8-14-16(19(25)24(10)6-7-27-2)15(12-5-4-11(21)9-13(12)22)17(18(23)29-14)20(26)28-3/h4-5,8-9,15H,6-7,23H2,1-3H3
InChIKeyDIYCEQIDQSUAHA-UHFFFAOYSA-N
XLogP2.98
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.30
LogP ≤ 52.98
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-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 16833132) is methyl 2-amino-4-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is COCCn1c(C)cc2c(c1=O)C(c1ccc(Cl)cc1Cl)C(C(=O)OC)=C(N)O2.
What is the InChIKey of methyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is DIYCEQIDQSUAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O5/c1-10-8-14-16(19(25)24(10)6-7-27-2)15(12-5-4-11(21)9-13(12)22)17(18(23)29-14)20(26)28-3/h4-5,8-9,15H,6-7,23H2,1-3H3.
What are the key properties of methyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 439.30 g/mol, XLogP of 2.98, 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-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 16833132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).