ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate

C17H15ClN2O3 — CID 91872822

IUPACethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nc(-c3ccc(Cl)cc3)cc(C)c2c1N
InChIInChI=1S/C17H15ClN2O3/c1-3-22-17(21)15-14(19)13-9(2)8-12(20-16(13)23-15)10-4-6-11(18)7-5-10/h4-8H,3,19H2,1-2H3
InChIKeyHSILZWJHDOKHDW-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.22
Rot. Bonds3

About ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate (PubChem CID 91872822) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate
PubChem CID91872822
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Nameethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2nc(-c3ccc(Cl)cc3)cc(C)c2c1N
InChIInChI=1S/C17H15ClN2O3/c1-3-22-17(21)15-14(19)13-9(2)8-12(20-16(13)23-15)10-4-6-11(18)7-5-10/h4-8H,3,19H2,1-2H3
InChIKeyHSILZWJHDOKHDW-UHFFFAOYSA-N
XLogP4.22
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-4-methyl-6-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
CID 91872812
ethyl 3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
CID 5140172
ethyl 3-amino-6-phenyl-4-thiophen-2-ylfuro[2,3-b]pyridine-2-carboxylate
CID 2816111
(3-amino-4-methyl-6-phenylfuro[2,3-b]pyridin-2-yl)-(4-phenylphenyl)methanone
CID 11840724
ethyl 3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridine-2-carboxylate
CID 10479445
(3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
CID 50896332
ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate
CID 10408253
ethyl 5-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate
CID 11957282
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919
[3-amino-6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone
CID 11122582
ethyl 3-amino-8-(furan-2-yl)-5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate
CID 139237019
ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 2471245

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate (CID 91872822) is ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1oc2nc(-c3ccc(Cl)cc3)cc(C)c2c1N.
What is the InChIKey of ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate?
The InChIKey is HSILZWJHDOKHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-3-22-17(21)15-14(19)13-9(2)8-12(20-16(13)23-15)10-4-6-11(18)7-5-10/h4-8H,3,19H2,1-2H3.
What are the key properties of ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate has a molecular weight of 330.77 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-(4-chlorophenyl)-4-methylfuro[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 91872822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).