N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide

C18H20N2O2 — CID 22243407

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide
SMILESCOc1cccc2ccc(C(=O)NC3CC4CCC3N4)cc12
InChIInChI=1S/C18H20N2O2/c1-22-17-4-2-3-11-5-6-12(9-14(11)17)18(21)20-16-10-13-7-8-15(16)19-13/h2-6,9,13,15-16,19H,7-8,10H2,1H3,(H,20,21)
InChIKeyHJBQUVQFTPCMGG-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.47
Rot. Bonds3

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide (PubChem CID 22243407) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide
PubChem CID22243407
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide
SMILESCOc1cccc2ccc(C(=O)NC3CC4CCC3N4)cc12
InChIInChI=1S/C18H20N2O2/c1-22-17-4-2-3-11-5-6-12(9-14(11)17)18(21)20-16-10-13-7-8-15(16)19-13/h2-6,9,13,15-16,19H,7-8,10H2,1H3,(H,20,21)
InChIKeyHJBQUVQFTPCMGG-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-2H-indazole-5-carboxamide
CID 10084500
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-methoxy-5-phenylthiophene-2-carboxamide
CID 70027855
3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide
CID 90841268
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide
CID 18535430
4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85330831
3-amino-N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-hydroxybenzamide
CID 59059436
methyl 3-[6-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]-1-benzofuran-2-yl]prop-2-ynoate
CID 91423741
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-iodo-1-benzofuran-5-carboxamide
CID 90847887
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methylsulfanyl-1-benzofuran-5-carboxamide
CID 91159442
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide
CID 10272400

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide (CID 22243407) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide is COc1cccc2ccc(C(=O)NC3CC4CCC3N4)cc12.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide?
The InChIKey is HJBQUVQFTPCMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-4-2-3-11-5-6-12(9-14(11)17)18(21)20-16-10-13-7-8-15(16)19-13/h2-6,9,13,15-16,19H,7-8,10H2,1H3,(H,20,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 22243407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).