N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide

C16H18ClN3O — CID 86272491

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2cc(Cl)ccn2c1
InChIInChI=1S/C16H18ClN3O/c17-13-3-6-20-9-12(7-14(20)8-13)16(21)18-15-10-19-4-1-11(15)2-5-19/h3,6-9,11,15H,1-2,4-5,10H2,(H,18,21)/t15-/m0/s1
InChIKeyIGVYIJMAORAUIV-HNNXBMFYSA-N
MW303.79 g/mol
LogP2.42
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide (PubChem CID 86272491) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide
PubChem CID86272491
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2cc(Cl)ccn2c1
InChIInChI=1S/C16H18ClN3O/c17-13-3-6-20-9-12(7-14(20)8-13)16(21)18-15-10-19-4-1-11(15)2-5-19/h3,6-9,11,15H,1-2,4-5,10H2,(H,18,21)/t15-/m0/s1
InChIKeyIGVYIJMAORAUIV-HNNXBMFYSA-N
XLogP2.42
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-chlorophenyl)sulfanylbenzamide
CID 22045877
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-bromo-4-chlorobenzamide
CID 107988022
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-methylindolizine-6-carboxamide
CID 22566005
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(3,5-dichlorophenyl)benzamide
CID 23599460
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide
CID 155568030
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-chlorophenyl)sulfonylbenzamide
CID 11976725
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide
CID 22565579
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-iodobenzamide
CID 58932943
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide
CID 3980105

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide (CID 86272491) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(Cl)ccn2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide?
The InChIKey is IGVYIJMAORAUIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-13-3-6-20-9-12(7-14(20)8-13)16(21)18-15-10-19-4-1-11(15)2-5-19/h3,6-9,11,15H,1-2,4-5,10H2,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide is sourced from PubChem (CID 86272491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).