8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone

C14H18N2O2 — CID 171943519

IUPAC8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)C2CC3CCC(C2)N3)n1
InChIInChI=1S/C14H18N2O2/c1-18-13-4-2-3-12(16-13)14(17)9-7-10-5-6-11(8-9)15-10/h2-4,9-11,15H,5-8H2,1H3
InChIKeyPVONLRCYXZSPPD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.80
Rot. Bonds3

About 8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone

8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone (PubChem CID 171943519) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone
PubChem CID171943519
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)C2CC3CCC(C2)N3)n1
InChIInChI=1S/C14H18N2O2/c1-18-13-4-2-3-12(16-13)14(17)9-7-10-5-6-11(8-9)15-10/h2-4,9-11,15H,5-8H2,1H3
InChIKeyPVONLRCYXZSPPD-UHFFFAOYSA-N
XLogP1.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
CID 73053571
6-methoxypyridine-2-carbonyl chloride
CID 86688296
6-methoxypyridine-2-carboxamide;hydrochloride
CID 172737528
(6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943887
9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
CID 171943405
8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
CID 171943170
[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate
CID 175007946
N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63985516
8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone
CID 171947080
6-methoxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 110856921
8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone
CID 171941310
cyclopropyl-(6-fluoro-2-pyridinyl)methanone
CID 134465722

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone (CID 171943519) is 8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone is COc1cccc(C(=O)C2CC3CCC(C2)N3)n1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone?
The InChIKey is PVONLRCYXZSPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-13-4-2-3-12(16-13)14(17)9-7-10-5-6-11(8-9)15-10/h2-4,9-11,15H,5-8H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone?
8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone has a molecular weight of 246.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 171943519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).