N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride

C15H18ClN3O — CID 159732987

IUPACN-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CC2CCC1N2)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H17N3O.ClH/c19-15(18-13-8-10-5-6-12(13)16-10)14-7-9-3-1-2-4-11(9)17-14;/h1-4,7,10,12-13,16-17H,5-6,8H2,(H,18,19);1H/t10?,12?,13-;/m1./s1
InChIKeyVSRZUTLGTOGMHR-KVSYGULOSA-N
MW291.78 g/mol
LogP2.21
Rot. Bonds2

About N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride

N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride (PubChem CID 159732987) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride
PubChem CID159732987
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CC2CCC1N2)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H17N3O.ClH/c19-15(18-13-8-10-5-6-12(13)16-10)14-7-9-3-1-2-4-11(9)17-14;/h1-4,7,10,12-13,16-17H,5-6,8H2,(H,18,19);1H/t10?,12?,13-;/m1./s1
InChIKeyVSRZUTLGTOGMHR-KVSYGULOSA-N
XLogP2.21
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
N-(2,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63998403
N-(3-methylcyclopentyl)-1H-indole-2-carboxamide
CID 114550625
N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 64742784
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(methylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 70028530
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-cyanophenyl)-1H-pyrrole-2-carboxamide
CID 70026101
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-chloronaphthalene-2-carboxamide
CID 23598729
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloro-1-benzothiophene-5-carboxamide
CID 90872241
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3,4-difluorophenyl)-1H-pyrrole-2-carboxamide
CID 70028625
N-(7-azabicyclo[2.2.1]heptan-2-yl)furan-2-carboxamide
CID 155850992

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride (CID 159732987) is N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride is Cl.O=C(N[C@@H]1CC2CCC1N2)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is VSRZUTLGTOGMHR-KVSYGULOSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c19-15(18-13-8-10-5-6-12(13)16-10)14-7-9-3-1-2-4-11(9)17-14;/h1-4,7,10,12-13,16-17H,5-6,8H2,(H,18,19);1H/t10?,12?,13-;/m1./s1.
What are the key properties of N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 159732987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).