N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide

C20H25N3O — CID 67877100

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cccn2c3c(cc12)CCCC3
InChIInChI=1S/C20H25N3O/c24-20(21-17-13-22-10-7-14(17)8-11-22)16-5-3-9-23-18-6-2-1-4-15(18)12-19(16)23/h3,5,9,12,14,17H,1-2,4,6-8,10-11,13H2,(H,21,24)
InChIKeyKNQFYQGTSNPVIQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.64
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide (PubChem CID 67877100) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide
PubChem CID67877100
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cccn2c3c(cc12)CCCC3
InChIInChI=1S/C20H25N3O/c24-20(21-17-13-22-10-7-14(17)8-11-22)16-5-3-9-23-18-6-2-1-4-15(18)12-19(16)23/h3,5,9,12,14,17H,1-2,4,6-8,10-11,13H2,(H,21,24)
InChIKeyKNQFYQGTSNPVIQ-UHFFFAOYSA-N
XLogP2.64
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214906
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
CID 55052611
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide
CID 14699984
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-bromo-4-chlorobenzamide
CID 107988022
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride
CID 127032836
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloronaphthalene-1-carboxamide
CID 3996470
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
CID 69380368
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide (CID 67877100) is N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide is O=C(NC1CN2CCC1CC2)c1cccn2c3c(cc12)CCCC3.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide?
The InChIKey is KNQFYQGTSNPVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(21-17-13-22-10-7-14(17)8-11-22)16-5-3-9-23-18-6-2-1-4-15(18)12-19(16)23/h3,5,9,12,14,17H,1-2,4,6-8,10-11,13H2,(H,21,24).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide is sourced from PubChem (CID 67877100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).