9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C21H30ClN3O — CID 120987588

IUPAC9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCc1[nH]c2ccc(CNC(=O)C3CC4CCCC(C3)C4N)cc2c1C.Cl
InChIInChI=1S/C21H29N3O.ClH/c1-12-13(2)24-19-7-6-14(8-18(12)19)11-23-21(25)17-9-15-4-3-5-16(10-17)20(15)22;/h6-8,15-17,20,24H,3-5,9-11,22H2,1-2H3,(H,23,25);1H
InChIKeyKAKPXQSMDNTKHU-UHFFFAOYSA-N
MW375.94 g/mol
LogP3.98
Rot. Bonds3

About 9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120987588) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is 9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120987588
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC Name9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCc1[nH]c2ccc(CNC(=O)C3CC4CCCC(C3)C4N)cc2c1C.Cl
InChIInChI=1S/C21H29N3O.ClH/c1-12-13(2)24-19-7-6-14(8-18(12)19)11-23-21(25)17-9-15-4-3-5-16(10-17)20(15)22;/h6-8,15-17,20,24H,3-5,9-11,22H2,1-2H3,(H,23,25);1H
InChIKeyKAKPXQSMDNTKHU-UHFFFAOYSA-N
XLogP3.98
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984718
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]-2-methoxybenzoate;hydrochloride
CID 120985040
3-[4-[(2,3-dimethyl-1H-indol-5-yl)methylcarbamoyl]oxolan-2-yl]propanoic acid
CID 154783519
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986134
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 56744582
9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987099
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 119754604
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719
9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984051
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119754617

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120987588) is 9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cc1[nH]c2ccc(CNC(=O)C3CC4CCCC(C3)C4N)cc2c1C.Cl.
What is the InChIKey of 9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is KAKPXQSMDNTKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O.ClH/c1-12-13(2)24-19-7-6-14(8-18(12)19)11-23-21(25)17-9-15-4-3-5-16(10-17)20(15)22;/h6-8,15-17,20,24H,3-5,9-11,22H2,1-2H3,(H,23,25);1H.
What are the key properties of 9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 375.94 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120987588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).