N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide

C18H19N5O2 — CID 22047270

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cc2oc(-n3ccnc3)cc2cn1
InChIInChI=1S/C18H19N5O2/c24-18(21-15-10-22-4-1-12(15)2-5-22)14-8-16-13(9-20-14)7-17(25-16)23-6-3-19-11-23/h3,6-9,11-12,15H,1-2,4-5,10H2,(H,21,24)
InChIKeyLRTYXMPMDNWREP-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.84
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide (PubChem CID 22047270) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide
PubChem CID22047270
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cc2oc(-n3ccnc3)cc2cn1
InChIInChI=1S/C18H19N5O2/c24-18(21-15-10-22-4-1-12(15)2-5-22)14-8-16-13(9-20-14)7-17(25-16)23-6-3-19-11-23/h3,6-9,11-12,15H,1-2,4-5,10H2,(H,21,24)
InChIKeyLRTYXMPMDNWREP-UHFFFAOYSA-N
XLogP1.84
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide (CID 22047270) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide is O=C(NC1CN2CCC1CC2)c1cc2oc(-n3ccnc3)cc2cn1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide?
The InChIKey is LRTYXMPMDNWREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-18(21-15-10-22-4-1-12(15)2-5-22)14-8-16-13(9-20-14)7-17(25-16)23-6-3-19-11-23/h3,6-9,11-12,15H,1-2,4-5,10H2,(H,21,24).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-imidazol-1-ylfuro[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 22047270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).