N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide

C16H16N4O — CID 15967061

IUPACN-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide
SMILESN#Cc1ccn2cc(C(=O)NC3CN4CC[C@@H]3C4)ccc12
InChIInChI=1S/C16H16N4O/c17-7-11-4-6-20-9-13(1-2-15(11)20)16(21)18-14-10-19-5-3-12(14)8-19/h1-2,4,6,9,12,14H,3,5,8,10H2,(H,18,21)/t12-,14?/m1/s1
InChIKeyZXKXQLOEJXPVOI-PUODRLBUSA-N
MW280.33 g/mol
LogP1.24
Rot. Bonds2

About N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide

N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide (PubChem CID 15967061) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide
PubChem CID15967061
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide
SMILESN#Cc1ccn2cc(C(=O)NC3CN4CC[C@@H]3C4)ccc12
InChIInChI=1S/C16H16N4O/c17-7-11-4-6-20-9-13(1-2-15(11)20)16(21)18-14-10-19-5-3-12(14)8-19/h1-2,4,6,9,12,14H,3,5,8,10H2,(H,18,21)/t12-,14?/m1/s1
InChIKeyZXKXQLOEJXPVOI-PUODRLBUSA-N
XLogP1.24
TPSA60.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-methylindolizine-6-carboxamide
CID 22566005
N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 22566020
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-ethynylindolizine-7-carboxamide
CID 22565579
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyanopyrrole-1-carboxamide
CID 21083403
N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-methylimidazo[1,2-a]pyridine-7-carboxamide
CID 22565551
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-nitrobenzamide
CID 11471353
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492
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]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 10149424
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloroindolizine-2-carboxamide
CID 86272491

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide?
The IUPAC name of N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide (CID 15967061) is N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide.
What is the SMILES notation for N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide?
The canonical SMILES for N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide is N#Cc1ccn2cc(C(=O)NC3CN4CC[C@@H]3C4)ccc12.
What is the InChIKey of N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide?
The InChIKey is ZXKXQLOEJXPVOI-PUODRLBUSA-N. The full InChI is InChI=1S/C16H16N4O/c17-7-11-4-6-20-9-13(1-2-15(11)20)16(21)18-14-10-19-5-3-12(14)8-19/h1-2,4,6,9,12,14H,3,5,8,10H2,(H,18,21)/t12-,14?/m1/s1.
What are the key properties of N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide?
N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]-1-cyanoindolizine-6-carboxamide is sourced from PubChem (CID 15967061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).