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

C17H15ClN2O4 — CID 930757

IUPACmethyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O4/c1-8-7-11-13(16(21)20-8)12(9-3-5-10(18)6-4-9)14(15(19)24-11)17(22)23-2/h3-7,12H,19H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyNFBDXWPADNGGCZ-GFCCVEGCSA-N
MW346.77 g/mol
LogP2.20
Rot. Bonds2

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

methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 930757) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
PubChem CID930757
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Namemethyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O4/c1-8-7-11-13(16(21)20-8)12(9-3-5-10(18)6-4-9)14(15(19)24-11)17(22)23-2/h3-7,12H,19H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyNFBDXWPADNGGCZ-GFCCVEGCSA-N
XLogP2.20
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

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-7-methyl-5-oxo-4-pyridin-4-yl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 667149
ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 7184062
(4S)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 6560114
ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475758
methyl 2-amino-4-(2,5-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 3920920
methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41035447
(4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 950544
(4R)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 950545
methyl 2-amino-4-(2,6-dichlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475766
ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475077
(4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 834770

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate (CID 930757) is methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is NFBDXWPADNGGCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-8-7-11-13(16(21)20-8)12(9-3-5-10(18)6-4-9)14(15(19)24-11)17(22)23-2/h3-7,12H,19H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate?
methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 346.77 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 930757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).