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

C22H24N4O — CID 67673627

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C22H24N4O/c27-22(20-13-24-21-19(20)7-4-10-23-21)25-16-11-17-8-9-18(12-16)26(17)14-15-5-2-1-3-6-15/h1-7,10,13,16-18H,8-9,11-12,14H2,(H,23,24)(H,25,27)
InChIKeyFSXYEYLIIOPXRJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.49
Rot. Bonds4

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

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 67673627) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID67673627
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C22H24N4O/c27-22(20-13-24-21-19(20)7-4-10-23-21)25-16-11-17-8-9-18(12-16)26(17)14-15-5-2-1-3-6-15/h1-7,10,13,16-18H,8-9,11-12,14H2,(H,23,24)(H,25,27)
InChIKeyFSXYEYLIIOPXRJ-UHFFFAOYSA-N
XLogP3.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11231449
N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
CID 7223858
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 95286983
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 10224963
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide;hydrochloride
CID 3059281
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide
CID 3059383
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126935209
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
CID 54577620
N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
CID 98109975
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-7-methoxyfuro[2,3-b]pyrazine-6-carboxamide
CID 10157339
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 3217171

Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 67673627) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1c[nH]c2ncccc12.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is FSXYEYLIIOPXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(20-13-24-21-19(20)7-4-10-23-21)25-16-11-17-8-9-18(12-16)26(17)14-15-5-2-1-3-6-15/h1-7,10,13,16-18H,8-9,11-12,14H2,(H,23,24)(H,25,27).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 67673627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).