N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide

C16H16N4O — CID 22565823

IUPACN-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide
SMILESN#Cc1cc2cc(C(=O)NC3CC4CNC3C4)ccn2c1
InChIInChI=1S/C16H16N4O/c17-7-11-3-13-6-12(1-2-20(13)9-11)16(21)19-15-5-10-4-14(15)18-8-10/h1-3,6,9-10,14-15,18H,4-5,8H2,(H,19,21)
InChIKeyPGRGMOSUJHGAAE-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.29
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide

N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide (PubChem CID 22565823) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide
PubChem CID22565823
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide
SMILESN#Cc1cc2cc(C(=O)NC3CC4CNC3C4)ccn2c1
InChIInChI=1S/C16H16N4O/c17-7-11-3-13-6-12(1-2-20(13)9-11)16(21)19-15-5-10-4-14(15)18-8-10/h1-3,6,9-10,14-15,18H,4-5,8H2,(H,19,21)
InChIKeyPGRGMOSUJHGAAE-UHFFFAOYSA-N
XLogP1.29
TPSA69.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide (CID 22565823) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide is N#Cc1cc2cc(C(=O)NC3CC4CNC3C4)ccn2c1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide?
The InChIKey is PGRGMOSUJHGAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-7-11-3-13-6-12(1-2-20(13)9-11)16(21)19-15-5-10-4-14(15)18-8-10/h1-3,6,9-10,14-15,18H,4-5,8H2,(H,19,21).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyanoindolizine-7-carboxamide is sourced from PubChem (CID 22565823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).