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

C18H18N2O4 — CID 7184062

IUPACethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-3-23-18(22)15-13(11-7-5-4-6-8-11)14-12(24-16(15)19)9-10(2)20-17(14)21/h4-9,13H,3,19H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyLQUDJYAJJSGFMT-CYBMUJFWSA-N
MW326.35 g/mol
LogP1.94
Rot. Bonds3

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

ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 7184062) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
PubChem CID7184062
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Nameethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-3-23-18(22)15-13(11-7-5-4-6-8-11)14-12(24-16(15)19)9-10(2)20-17(14)21/h4-9,13H,3,19H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyLQUDJYAJJSGFMT-CYBMUJFWSA-N
XLogP1.94
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

ethyl 2-amino-7-methyl-5-oxo-4-pyridin-4-yl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 667149
ethyl 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 4160314
methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 930757
methyl (4S)-2-amino-4-(3-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 2040701
ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475077
ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475758
ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
CID 40554150
(4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 834770
ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate
CID 917052
ethyl 2-amino-4-(3-methylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 4899383
ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 17340859
ethyl (4R)-2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 26183237

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (CID 7184062) is ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccccc1.
What is the InChIKey of ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is LQUDJYAJJSGFMT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-23-18(22)15-13(11-7-5-4-6-8-11)14-12(24-16(15)19)9-10(2)20-17(14)21/h4-9,13H,3,19H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 7184062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).