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

C15H16ClN3O — CID 22565743

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ccc2cc(Cl)cn2c1
InChIInChI=1S/C15H16ClN3O/c16-10-5-12-3-1-9(7-19(12)8-10)15(20)18-14-6-11-2-4-13(14)17-11/h1,3,5,7-8,11,13-14,17H,2,4,6H2,(H,18,20)
InChIKeyMNFSTUQZYPPTBH-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.22
Rot. Bonds2

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

N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide (PubChem CID 22565743) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide
PubChem CID22565743
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ccc2cc(Cl)cn2c1
InChIInChI=1S/C15H16ClN3O/c16-10-5-12-3-1-9(7-19(12)8-10)15(20)18-14-6-11-2-4-13(14)17-11/h1,3,5,7-8,11,13-14,17H,2,4,6H2,(H,18,20)
InChIKeyMNFSTUQZYPPTBH-UHFFFAOYSA-N
XLogP2.22
TPSA45.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-ethynylindolizine-6-carboxamide
CID 22565813
N-(7-azabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 22565865
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 22566087
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloro-1-benzothiophene-5-carboxamide
CID 90872241
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-chloronaphthalene-2-carboxamide
CID 23598729
3-amino-N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-hydroxybenzamide
CID 59059436
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45087059
4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85078315
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2,1-benzothiazole-5-carboxamide
CID 91359908
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-sulfanyl-1-benzofuran-5-carboxamide
CID 91358573
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethenyl-1-benzothiophene-6-carboxamide
CID 10266720
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(piperidine-1-carbonyl)-1-benzofuran-5-carboxamide
CID 10451610

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide (CID 22565743) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide is O=C(NC1CC2CCC1N2)c1ccc2cc(Cl)cn2c1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide?
The InChIKey is MNFSTUQZYPPTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-10-5-12-3-1-9(7-19(12)8-10)15(20)18-14-6-11-2-4-13(14)17-11/h1,3,5,7-8,11,13-14,17H,2,4,6H2,(H,18,20).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-chloroindolizine-6-carboxamide is sourced from PubChem (CID 22565743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).