N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide

C16H19N3O — CID 61237731

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H19N3O/c20-16(15-7-10-3-1-2-4-14(10)19-15)18-13-8-11-5-6-12(9-13)17-11/h1-4,7,11-13,17,19H,5-6,8-9H2,(H,18,20)
InChIKeyZDZYOISWRFDMSP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.18
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide (PubChem CID 61237731) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
PubChem CID61237731
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H19N3O/c20-16(15-7-10-3-1-2-4-14(10)19-15)18-13-8-11-5-6-12(9-13)17-11/h1-4,7,11-13,17,19H,5-6,8-9H2,(H,18,20)
InChIKeyZDZYOISWRFDMSP-UHFFFAOYSA-N
XLogP2.18
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 159732987
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CID 114550625
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 64742784
N-(3-ethoxycyclobutyl)-1H-indole-2-carboxamide
CID 102612122
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
N-(2,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63998403
N-(1-methyl-5-oxopyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 110474030
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide (CID 61237731) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide is O=C(NC1CC2CCC(C1)N2)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide?
The InChIKey is ZDZYOISWRFDMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(15-7-10-3-1-2-4-14(10)19-15)18-13-8-11-5-6-12(9-13)17-11/h1-4,7,11-13,17,19H,5-6,8-9H2,(H,18,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 61237731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).