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

C21H23ClN2O6 — CID 23475104

IUPACmethyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCn1c(C)cc2c(c1=O)C(c1cc(Cl)c(OC)c(OC)c1)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C21H23ClN2O6/c1-6-24-10(2)7-13-16(20(24)25)15(17(19(23)30-13)21(26)29-5)11-8-12(22)18(28-4)14(9-11)27-3/h7-9,15H,6,23H2,1-5H3
InChIKeyAJVRBXPRPZSZRC-UHFFFAOYSA-N
MW434.88 g/mol
LogP2.71
Rot. Bonds5

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

methyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 23475104) has the molecular formula C21H23ClN2O6 and a molecular weight of 434.88 g/mol. Its IUPAC name is methyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID23475104
Molecular FormulaC21H23ClN2O6
Molecular Weight434.88 g/mol
Exact Mass434.12
IUPAC Namemethyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCn1c(C)cc2c(c1=O)C(c1cc(Cl)c(OC)c(OC)c1)C(C(=O)OC)=C(N)O2
InChIInChI=1S/C21H23ClN2O6/c1-6-24-10(2)7-13-16(20(24)25)15(17(19(23)30-13)21(26)29-5)11-8-12(22)18(28-4)14(9-11)27-3/h7-9,15H,6,23H2,1-5H3
InChIKeyAJVRBXPRPZSZRC-UHFFFAOYSA-N
XLogP2.71
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of 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) is methyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is CCn1c(C)cc2c(c1=O)C(c1cc(Cl)c(OC)c(OC)c1)C(C(=O)OC)=C(N)O2.
What is the InChIKey of methyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is AJVRBXPRPZSZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O6/c1-6-24-10(2)7-13-16(20(24)25)15(17(19(23)30-13)21(26)29-5)11-8-12(22)18(28-4)14(9-11)27-3/h7-9,15H,6,23H2,1-5H3.
What are the key properties of methyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 434.88 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 23475104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).