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

C20H22N2O6 — CID 23475077

IUPACethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccc(OC)cc1OC
InChIInChI=1S/C20H22N2O6/c1-5-27-20(24)17-15(12-7-6-11(25-3)9-13(12)26-4)16-14(28-18(17)21)8-10(2)22-19(16)23/h6-9,15H,5,21H2,1-4H3,(H,22,23)
InChIKeyCKESKDQMXXTYKE-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.96
Rot. Bonds5

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

ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 23475077) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
PubChem CID23475077
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Nameethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccc(OC)cc1OC
InChIInChI=1S/C20H22N2O6/c1-5-27-20(24)17-15(12-7-6-11(25-3)9-13(12)26-4)16-14(28-18(17)21)8-10(2)22-19(16)23/h6-9,15H,5,21H2,1-4H3,(H,22,23)
InChIKeyCKESKDQMXXTYKE-UHFFFAOYSA-N
XLogP1.96
TPSA112.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (CID 23475077) is ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccc(OC)cc1OC.
What is the InChIKey of ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is CKESKDQMXXTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-5-27-20(24)17-15(12-7-6-11(25-3)9-13(12)26-4)16-14(28-18(17)21)8-10(2)22-19(16)23/h6-9,15H,5,21H2,1-4H3,(H,22,23).
What are the key properties of ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 23475077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).