methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate

C16H17N3O4 — CID 22389358

IUPACmethyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cnc(C(=O)NC3CC4CC3CN4)cc2o1
InChIInChI=1S/C16H17N3O4/c1-22-16(21)14-3-9-7-18-12(5-13(9)23-14)15(20)19-11-4-10-2-8(11)6-17-10/h3,5,7-8,10-11,17H,2,4,6H2,1H3,(H,19,20)
InChIKeyADNJHWXQXYMWJQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.09
Rot. Bonds3

About methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate

methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 22389358) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate
PubChem CID22389358
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Namemethyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cnc(C(=O)NC3CC4CC3CN4)cc2o1
InChIInChI=1S/C16H17N3O4/c1-22-16(21)14-3-9-7-18-12(5-13(9)23-14)15(20)19-11-4-10-2-8(11)6-17-10/h3,5,7-8,10-11,17H,2,4,6H2,1H3,(H,19,20)
InChIKeyADNJHWXQXYMWJQ-UHFFFAOYSA-N
XLogP1.09
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate with MolForge

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Related Compounds

N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyanofuro[3,2-c]pyridine-6-carboxamide
CID 22389296
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide
CID 22243515
N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
CID 22591334
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide
CID 92974579
2-acetyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[3,2-c]pyridine-6-carboxamide
CID 22389462
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide
CID 91249013
N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
CID 93499254
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 22350567
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 91251309
N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide
CID 167790207
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide
CID 90717860
N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-(2,2,2-trifluoroacetyl)furo[3,2-c]pyridine-6-carboxamide
CID 22389236

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate (CID 22389358) is methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate is COC(=O)c1cc2cnc(C(=O)NC3CC4CC3CN4)cc2o1.
What is the InChIKey of methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is ADNJHWXQXYMWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-22-16(21)14-3-9-7-18-12(5-13(9)23-14)15(20)19-11-4-10-2-8(11)6-17-10/h3,5,7-8,10-11,17H,2,4,6H2,1H3,(H,19,20).
What are the key properties of methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate?
methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 22389358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).