5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide

C19H23N3O — CID 22243655

IUPAC5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide
SMILESNc1cccc2cc(C(=O)NC3CC4CCN(CC4)C3)ccc12
InChIInChI=1S/C19H23N3O/c20-18-3-1-2-14-11-15(4-5-17(14)18)19(23)21-16-10-13-6-8-22(12-16)9-7-13/h1-5,11,13,16H,6-10,12,20H2,(H,21,23)
InChIKeyICGZAMPUPZCLIU-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.64
Rot. Bonds2

About 5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide

5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide (PubChem CID 22243655) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide
PubChem CID22243655
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide
SMILESNc1cccc2cc(C(=O)NC3CC4CCN(CC4)C3)ccc12
InChIInChI=1S/C19H23N3O/c20-18-3-1-2-14-11-15(4-5-17(14)18)19(23)21-16-10-13-6-8-22(12-16)9-7-13/h1-5,11,13,16H,6-10,12,20H2,(H,21,23)
InChIKeyICGZAMPUPZCLIU-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide
CID 22481698
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481751
4-(4-aminophenyl)sulfanyl-N-(1-azabicyclo[3.2.2]nonan-3-yl)benzamide
CID 22573724
N-(1-azabicyclo[3.2.2]nonan-3-yl)-7-methoxynaphthalene-2-carboxamide
CID 22243566
3-[4-(1-azabicyclo[3.2.2]nonan-3-ylcarbamoyl)phenyl]sulfanylbenzamide
CID 22573271
N-(1-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 22313423
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
CID 22481709
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-chloro-1-benzofuran-5-carboxamide
CID 22481716
N-cyclobutyl-5-hydroxynaphthalene-2-carboxamide
CID 172677591
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxynaphthalene-2-carboxamide
CID 10286402
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide
CID 22573759

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide?
The IUPAC name of 5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide (CID 22243655) is 5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for 5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide is Nc1cccc2cc(C(=O)NC3CC4CCN(CC4)C3)ccc12.
What is the InChIKey of 5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide?
The InChIKey is ICGZAMPUPZCLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-18-3-1-2-14-11-15(4-5-17(14)18)19(23)21-16-10-13-6-8-22(12-16)9-7-13/h1-5,11,13,16H,6-10,12,20H2,(H,21,23).
What are the key properties of 5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide?
5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 22243655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).