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

C17H20N2O2 — CID 126855379

IUPAC(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(=C2CC2)C3)cn1
InChIInChI=1S/C17H20N2O2/c1-21-16-7-4-12(10-18-16)17(20)19-14-5-6-15(19)9-13(8-14)11-2-3-11/h4,7,10,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyGNPJDRKIFAFCAF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.95
Rot. Bonds2

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

(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone (PubChem CID 126855379) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone
PubChem CID126855379
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(=C2CC2)C3)cn1
InChIInChI=1S/C17H20N2O2/c1-21-16-7-4-12(10-18-16)17(20)19-14-5-6-15(19)9-13(8-14)11-2-3-11/h4,7,10,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyGNPJDRKIFAFCAF-UHFFFAOYSA-N
XLogP2.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178262
N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610340
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
12-(6-methoxypyridine-3-carbonyl)-4-phenyl-3,5,12-triazatricyclo[7.2.1.03,7]dodeca-4,6-diene-6-carboxamide
CID 171141260
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27661534
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
(3,3-difluoroazetidin-1-yl)-(6-methoxy-3-pyridinyl)methanone
CID 122269367
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of (3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone (CID 126855379) is (3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2C3CCC2CC(=C2CC2)C3)cn1.
What is the InChIKey of (3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is GNPJDRKIFAFCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-16-7-4-12(10-18-16)17(20)19-14-5-6-15(19)9-13(8-14)11-2-3-11/h4,7,10,14-15H,2-3,5-6,8-9H2,1H3.
What are the key properties of (3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone?
(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 126855379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).