methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate

C18H15IN2O4 — CID 66663635

IUPACmethyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C)cc2)oc2nc(NC(C)=O)c(I)cc12
InChIInChI=1S/C18H15IN2O4/c1-9-4-6-11(7-5-9)15-14(18(23)24-3)12-8-13(19)16(20-10(2)22)21-17(12)25-15/h4-8H,1-3H3,(H,20,21,22)
InChIKeyVLFMSOMTBKXVRF-UHFFFAOYSA-N
MW450.23 g/mol
LogP4.15
Rot. Bonds3

About methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate

methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate (PubChem CID 66663635) has the molecular formula C18H15IN2O4 and a molecular weight of 450.23 g/mol. Its IUPAC name is methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate
PubChem CID66663635
Molecular FormulaC18H15IN2O4
Molecular Weight450.23 g/mol
Exact Mass450.01
IUPAC Namemethyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C)cc2)oc2nc(NC(C)=O)c(I)cc12
InChIInChI=1S/C18H15IN2O4/c1-9-4-6-11(7-5-9)15-14(18(23)24-3)12-8-13(19)16(20-10(2)22)21-17(12)25-15/h4-8H,1-3H3,(H,20,21,22)
InChIKeyVLFMSOMTBKXVRF-UHFFFAOYSA-N
XLogP4.15
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate
CID 118576869
6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 129202728
6-[4-[ethoxy(methyl)phosphoryl]butylsulfamoylmethyl]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 66664428
ethyl 3-hydroxy-6-[[5-iodo-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]methylsulfonylamino]-2,2-dimethylhexanoate
CID 66664141
2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 71065838
4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid
CID 150534684
6-[4-[ethoxy(methyl)phosphoryl]butyl-methylsulfonylamino]-2-(4-ethylphenyl)-5-iodo-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052454
2-[2-[[5-iodo-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]methyl-sulfinoamino]ethyl]cyclopentane-1-carboxylic acid
CID 66663832
6-[5-[ethyl(methyl)phosphoryl]oxypentyl-methylsulfonylamino]-2-(4-ethylphenyl)-5-iodo-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 123176740
2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
CID 10576901
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
methyl 5-(4-acetylphenyl)-2,4-dimethylfuran-3-carboxylate
CID 11380259

Frequently Asked Questions

What is the IUPAC name of methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate (CID 66663635) is methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate is COC(=O)c1c(-c2ccc(C)cc2)oc2nc(NC(C)=O)c(I)cc12.
What is the InChIKey of methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate?
The InChIKey is VLFMSOMTBKXVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O4/c1-9-4-6-11(7-5-9)15-14(18(23)24-3)12-8-13(19)16(20-10(2)22)21-17(12)25-15/h4-8H,1-3H3,(H,20,21,22).
What are the key properties of methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate?
methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate has a molecular weight of 450.23 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 66663635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).