N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C18H21F3N4O — CID 126842479

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1cn(CC(F)(F)F)c3ncccc13)C2
InChIInChI=1S/C18H21F3N4O/c1-24-12-4-5-13(24)8-11(7-12)23-17(26)15-9-25(10-18(19,20)21)16-14(15)3-2-6-22-16/h2-3,6,9,11-13H,4-5,7-8,10H2,1H3,(H,23,26)
InChIKeySCKUOVHZFKJVFA-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.95
Rot. Bonds3

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 126842479) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID126842479
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1cn(CC(F)(F)F)c3ncccc13)C2
InChIInChI=1S/C18H21F3N4O/c1-24-12-4-5-13(24)8-11(7-12)23-17(26)15-9-25(10-18(19,20)21)16-14(15)3-2-6-22-16/h2-3,6,9,11-13H,4-5,7-8,10H2,1H3,(H,23,26)
InChIKeySCKUOVHZFKJVFA-UHFFFAOYSA-N
XLogP2.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 10426426
2-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 140692979
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11231449
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
CID 65471480
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 134814155
1-[1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 118567251
1-(2,2-difluoroethyl)-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide
CID 118436697
1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone
CID 2768415
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162930
3-methoxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 18988176
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 126842479) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is CN1C2CCC1CC(NC(=O)c1cn(CC(F)(F)F)c3ncccc13)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is SCKUOVHZFKJVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-24-12-4-5-13(24)8-11(7-12)23-17(26)15-9-25(10-18(19,20)21)16-14(15)3-2-6-22-16/h2-3,6,9,11-13H,4-5,7-8,10H2,1H3,(H,23,26).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 126842479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).