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

C18H18N2O5 — CID 4638847

IUPACmethyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccccc1OC
InChIInChI=1S/C18H18N2O5/c1-9-8-12-14(17(21)20-9)13(10-6-4-5-7-11(10)23-2)15(16(19)25-12)18(22)24-3/h4-8,13H,19H2,1-3H3,(H,20,21)
InChIKeyOLYRCVAUWMSBQB-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.56
Rot. Bonds3

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

methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 4638847) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
PubChem CID4638847
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccccc1OC
InChIInChI=1S/C18H18N2O5/c1-9-8-12-14(17(21)20-9)13(10-6-4-5-7-11(10)23-2)15(16(19)25-12)18(22)24-3/h4-8,13H,19H2,1-3H3,(H,20,21)
InChIKeyOLYRCVAUWMSBQB-UHFFFAOYSA-N
XLogP1.56
TPSA103.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (CID 4638847) is methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccccc1OC.
What is the InChIKey of methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is OLYRCVAUWMSBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-9-8-12-14(17(21)20-9)13(10-6-4-5-7-11(10)23-2)15(16(19)25-12)18(22)24-3/h4-8,13H,19H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 4638847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).