N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide

C20H25N5O3 — CID 22047260

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide
SMILESCN1CCN(c2coc3cnc(C(=O)NC4CN5CCC4CC5)cc23)CC1=O
InChIInChI=1S/C20H25N5O3/c1-23-6-7-25(11-19(23)26)17-12-28-18-9-21-15(8-14(17)18)20(27)22-16-10-24-4-2-13(16)3-5-24/h8-9,12-13,16H,2-7,10-11H2,1H3,(H,22,27)
InChIKeyHHNQKKAWPFVTCY-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.93
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide (PubChem CID 22047260) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide
PubChem CID22047260
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide
SMILESCN1CCN(c2coc3cnc(C(=O)NC4CN5CCC4CC5)cc23)CC1=O
InChIInChI=1S/C20H25N5O3/c1-23-6-7-25(11-19(23)26)17-12-28-18-9-21-15(8-14(17)18)20(27)22-16-10-24-4-2-13(16)3-5-24/h8-9,12-13,16H,2-7,10-11H2,1H3,(H,22,27)
InChIKeyHHNQKKAWPFVTCY-UHFFFAOYSA-N
XLogP0.93
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide
CID 22047077
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethenylfuro[2,3-c]pyridine-5-carboxamide
CID 22047414
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethenylfuro[2,3-c]pyridine-5-carboxamide
CID 22389168
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-thiomorpholin-4-ylfuro[2,3-c]pyridine-5-carboxamide
CID 66814917
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047205
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 10178168
N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-pyrrolidin-1-ylfuro[2,3-c]pyridine-5-carboxamide
CID 22389428
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide
CID 22047049
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(1,2,4-triazol-1-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22046974
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[3,4-c]pyridine-6-carboxamide;methanesulfonic acid
CID 87925336
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyanoisoquinoline-3-carboxamide
CID 22243256

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide (CID 22047260) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide is CN1CCN(c2coc3cnc(C(=O)NC4CN5CCC4CC5)cc23)CC1=O.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is HHNQKKAWPFVTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-23-6-7-25(11-19(23)26)17-12-28-18-9-21-15(8-14(17)18)20(27)22-16-10-24-4-2-13(16)3-5-24/h8-9,12-13,16H,2-7,10-11H2,1H3,(H,22,27).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 0.93, 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)-3-(4-methyl-3-oxopiperazin-1-yl)furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22047260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).