N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride

C17H20ClN3O2 — CID 140827181

IUPACN-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1C2CCN(CC2)C12CC2)c1ccc2occc2n1
InChIInChI=1S/C17H19N3O2.ClH/c21-16(13-1-2-14-12(18-13)5-10-22-14)19-15-11-3-8-20(9-4-11)17(15)6-7-17;/h1-2,5,10-11,15H,3-4,6-9H2,(H,19,21);1H
InChIKeyGENJVSZNYPHXKG-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.61
Rot. Bonds2

About N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride

N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride (PubChem CID 140827181) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride
PubChem CID140827181
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride
SMILESCl.O=C(NC1C2CCN(CC2)C12CC2)c1ccc2occc2n1
InChIInChI=1S/C17H19N3O2.ClH/c21-16(13-1-2-14-12(18-13)5-10-22-14)19-15-11-3-8-20(9-4-11)17(15)6-7-17;/h1-2,5,10-11,15H,3-4,6-9H2,(H,19,21);1H
InChIKeyGENJVSZNYPHXKG-UHFFFAOYSA-N
XLogP2.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl]-1H-benzimidazole-2-carboxamide;hydrochloride
CID 139528639
N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl-1H-benzimidazole-2-carboxamide
CID 121413917
N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 140827184
N-[(3R)-spiro[aziridine-3,2'-bicyclo[2.2.2]octane]-2-yl]furo[3,2-b]pyridine-5-carboxamide
CID 121413925
N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-7-methylfuro[2,3-c]pyridine-5-carboxamide
CID 121413614
3-chloro-N-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl-1-benzofuran-5-carboxamide
CID 139541471
N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl-7-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 140827170
N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl-7-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 140827193
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-5-(13C)carboxamide
CID 10107236
6,7-dichloro-N-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl-1-benzothiophene-2-carboxamide
CID 139541768
6-chloro-N-[(3R)-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl]-1,2-benzoxazol-3-amine
CID 126566492

Frequently Asked Questions

What is the IUPAC name of N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride?
The IUPAC name of N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride (CID 140827181) is N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride?
The canonical SMILES for N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride is Cl.O=C(NC1C2CCN(CC2)C12CC2)c1ccc2occc2n1.
What is the InChIKey of N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride?
The InChIKey is GENJVSZNYPHXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.ClH/c21-16(13-1-2-14-12(18-13)5-10-22-14)19-15-11-3-8-20(9-4-11)17(15)6-7-17;/h1-2,5,10-11,15H,3-4,6-9H2,(H,19,21);1H.
What are the key properties of N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride?
N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride has a molecular weight of 333.82 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylfuro[3,2-b]pyridine-5-carboxamide;hydrochloride is sourced from PubChem (CID 140827181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).