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

C24H30N2O6 — CID 23475837

IUPACethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCCc1cc2c(c(=O)n1CC)C(c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(N)O2
InChIInChI=1S/C24H30N2O6/c1-6-9-15-13-18-20(23(27)26(15)7-2)19(21(22(25)32-18)24(28)31-8-3)14-10-11-16(29-4)17(12-14)30-5/h10-13,19H,6-9,25H2,1-5H3
InChIKeyABCJPELHSNLEJK-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.10
Rot. Bonds8

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

ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 23475837) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID23475837
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Nameethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCCc1cc2c(c(=O)n1CC)C(c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(N)O2
InChIInChI=1S/C24H30N2O6/c1-6-9-15-13-18-20(23(27)26(15)7-2)19(21(22(25)32-18)24(28)31-8-3)14-10-11-16(29-4)17(12-14)30-5/h10-13,19H,6-9,25H2,1-5H3
InChIKeyABCJPELHSNLEJK-UHFFFAOYSA-N
XLogP3.10
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

ethyl (4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287332
methyl 2-amino-6-ethyl-5-oxo-7-propyl-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475843
ethyl 2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475109
methyl 4-(2-amino-3-cyano-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridin-4-yl)benzoate
CID 23475691
ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475797
ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 23736595
methyl (4S)-2-amino-4-(4-bromophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 98156731
methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475778
methyl (4R)-2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287347
methyl 2-amino-4-(2-methoxyphenyl)-6-methyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475784
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-4-(3-chloro-4,5-dimethoxyphenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475104

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 23475837) is ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate is CCCc1cc2c(c(=O)n1CC)C(c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(N)O2.
What is the InChIKey of ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is ABCJPELHSNLEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-6-9-15-13-18-20(23(27)26(15)7-2)19(21(22(25)32-18)24(28)31-8-3)14-10-11-16(29-4)17(12-14)30-5/h10-13,19H,6-9,25H2,1-5H3.
What are the key properties of ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 442.51 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 23475837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).