N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide

C18H23N3O2 — CID 121413614

IUPACN-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide
SMILESCc1nc(C(=O)NC2C3CCN(CC3)C2(C)C)cc2ccoc12
InChIInChI=1S/C18H23N3O2/c1-11-15-13(6-9-23-15)10-14(19-11)17(22)20-16-12-4-7-21(8-5-12)18(16,2)3/h6,9-10,12,16H,4-5,7-8H2,1-3H3,(H,20,22)
InChIKeyDOKSZPNTHVDJPN-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.74
Rot. Bonds2

About N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide

N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide (PubChem CID 121413614) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide
PubChem CID121413614
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide
SMILESCc1nc(C(=O)NC2C3CCN(CC3)C2(C)C)cc2ccoc12
InChIInChI=1S/C18H23N3O2/c1-11-15-13(6-9-23-15)10-14(19-11)17(22)20-16-12-4-7-21(8-5-12)18(16,2)3/h6,9-10,12,16H,4-5,7-8H2,1-3H3,(H,20,22)
InChIKeyDOKSZPNTHVDJPN-UHFFFAOYSA-N
XLogP2.74
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide (CID 121413614) is N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide is Cc1nc(C(=O)NC2C3CCN(CC3)C2(C)C)cc2ccoc12.
What is the InChIKey of N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide?
The InChIKey is DOKSZPNTHVDJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11-15-13(6-9-23-15)10-14(19-11)17(22)20-16-12-4-7-21(8-5-12)18(16,2)3/h6,9-10,12,16H,4-5,7-8H2,1-3H3,(H,20,22).
What are the key properties of N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide?
N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121413614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).