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

C19H19ClN2O5 — CID 23475527

IUPACmethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCO)c(=O)c2C1c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O5/c1-10-9-13-15(18(24)22(10)7-8-23)14(11-5-3-4-6-12(11)20)16(17(21)27-13)19(25)26-2/h3-6,9,14,23H,7-8,21H2,1-2H3
InChIKeyBWYZIXCPOJGULF-UHFFFAOYSA-N
MW390.82 g/mol
LogP1.67
Rot. Bonds4

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

methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 23475527) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID23475527
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Namemethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCO)c(=O)c2C1c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O5/c1-10-9-13-15(18(24)22(10)7-8-23)14(11-5-3-4-6-12(11)20)16(17(21)27-13)19(25)26-2/h3-6,9,14,23H,7-8,21H2,1-2H3
InChIKeyBWYZIXCPOJGULF-UHFFFAOYSA-N
XLogP1.67
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 16833129
methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 665874
methyl (4S)-2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7011974
ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475797
methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287322
methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7179576
2-[(4S)-2-amino-4-(2-fluorophenyl)-3-methoxycarbonyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium
CID 7287367
methyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475799
methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41035447
methyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7056332
methyl 2-amino-6-ethyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4970140
methyl 2-amino-4-(2-methoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 5172147

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 23475527) is methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(CCO)c(=O)c2C1c1ccccc1Cl.
What is the InChIKey of methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is BWYZIXCPOJGULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-10-9-13-15(18(24)22(10)7-8-23)14(11-5-3-4-6-12(11)20)16(17(21)27-13)19(25)26-2/h3-6,9,14,23H,7-8,21H2,1-2H3.
What are the key properties of methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 390.82 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 23475527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).