(6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

C16H20N2O3 — CID 122162082

IUPAC(6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1CC2CC1CO2
InChIInChI=1S/C16H20N2O3/c19-16(18-9-14-7-12(18)10-20-14)11-5-6-15(17-8-11)21-13-3-1-2-4-13/h5-6,8,12-14H,1-4,7,9-10H2
InChIKeyRNGXMDHMZRGAJB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.02
Rot. Bonds3

About (6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

(6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 122162082) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Name(6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID122162082
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESO=C(c1ccc(OC2CCCC2)nc1)N1CC2CC1CO2
InChIInChI=1S/C16H20N2O3/c19-16(18-9-14-7-12(18)10-20-14)11-5-6-15(17-8-11)21-13-3-1-2-4-13/h5-6,8,12-14H,1-4,7,9-10H2
InChIKeyRNGXMDHMZRGAJB-UHFFFAOYSA-N
XLogP2.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone with MolForge

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Related Compounds

(4-Cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771416
Org-26576
CID 13584912
N3,N3-dimethyl-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 2727209
(6-(4-Fluorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24771017
(4-Isopropylpiperazin-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771245
(4-Cyclopropyl-1,4-diazepan-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771362
(4-Cyclopropylpiperazin-1-yl)(6-(4-fluorophenoxy)pyridin-3-yl)methanone
CID 24771417
[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-pyrrolidin-1-yl-methanone
CID 44319198
N-cyclohexyl-6-(cyclopentylmethoxy)nicotinamide
CID 51036923
[4-(Furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 695007
2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide
CID 2532761
furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235407

Frequently Asked Questions

What is the IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 122162082) is (6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for (6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for (6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is O=C(c1ccc(OC2CCCC2)nc1)N1CC2CC1CO2.
What is the InChIKey of (6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is RNGXMDHMZRGAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-16(18-9-14-7-12(18)10-20-14)11-5-6-15(17-8-11)21-13-3-1-2-4-13/h5-6,8,12-14H,1-4,7,9-10H2.
What are the key properties of (6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
(6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopentyloxy-3-pyridinyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 122162082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).