(3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C14H18N2O3 — CID 171943513

IUPAC(3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1cccnc1C(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C14H18N2O3/c1-18-12-3-2-4-15-13(12)14(17)9-5-10-7-19-8-11(6-9)16-10/h2-4,9-11,16H,5-8H2,1H3
InChIKeyFJEPSTDPANVXRQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.04
Rot. Bonds3

About (3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171943513) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171943513
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1cccnc1C(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C14H18N2O3/c1-18-12-3-2-4-15-13(12)14(17)9-5-10-7-19-8-11(6-9)16-10/h2-4,9-11,16H,5-8H2,1H3
InChIKeyFJEPSTDPANVXRQ-UHFFFAOYSA-N
XLogP1.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947320
2-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)benzonitrile
CID 171939716
(6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943887
2,3-dihydro-1H-indol-3-yl-(3-methoxy-2-pyridinyl)methanone
CID 114054329
tert-butyl 3-(3-methoxypyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171943496
(6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171946177
bromo 3-methoxypyridine-2-carboxylate
CID 71151009
(5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943837
2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile
CID 171944017
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
potassium 3-methoxypyridine-2-carboxylate
CID 159434407
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone
CID 171948528

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171943513) is (3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is COc1cccnc1C(=O)C1CC2COCC(C1)N2.
What is the InChIKey of (3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is FJEPSTDPANVXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-12-3-2-4-15-13(12)14(17)9-5-10-7-19-8-11(6-9)16-10/h2-4,9-11,16H,5-8H2,1H3.
What are the key properties of (3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171943513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).