9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C16H23Cl2N3O — CID 120994031

IUPAC9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCc1ccc(Cl)cn1)C2
InChIInChI=1S/C16H22ClN3O.ClH/c17-13-4-5-14(19-8-13)9-20-16(21)12-6-10-2-1-3-11(7-12)15(10)18;/h4-5,8,10-12,15H,1-3,6-7,9,18H2,(H,20,21);1H
InChIKeyXNFKECLSZJVMAU-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.93
Rot. Bonds3

About 9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120994031) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is 9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120994031
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC Name9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCc1ccc(Cl)cn1)C2
InChIInChI=1S/C16H22ClN3O.ClH/c17-13-4-5-14(19-8-13)9-20-16(21)12-6-10-2-1-3-11(7-12)15(10)18;/h4-5,8,10-12,15H,1-3,6-7,9,18H2,(H,20,21);1H
InChIKeyXNFKECLSZJVMAU-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987560
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
9-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988823
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047
9-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991503
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984546
9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991264
9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990322
N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984718
9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992577
9-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987724

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120994031) is 9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)NCc1ccc(Cl)cn1)C2.
What is the InChIKey of 9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is XNFKECLSZJVMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O.ClH/c17-13-4-5-14(19-8-13)9-20-16(21)12-6-10-2-1-3-11(7-12)15(10)18;/h4-5,8,10-12,15H,1-3,6-7,9,18H2,(H,20,21);1H.
What are the key properties of 9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 344.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120994031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).