naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone

C20H18N2O2 — CID 124878377

IUPACnaphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CC[C@@H](Oc2ccncc2)C1
InChIInChI=1S/C20H18N2O2/c23-20(19-7-3-5-15-4-1-2-6-18(15)19)22-13-10-17(14-22)24-16-8-11-21-12-9-16/h1-9,11-12,17H,10,13-14H2/t17-/m1/s1
InChIKeyXYQSCBBPPPLWCS-QGZVFWFLSA-N
MW318.38 g/mol
LogP3.53
Rot. Bonds3

About naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone

naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone (PubChem CID 124878377) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
PubChem CID124878377
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namenaphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CC[C@@H](Oc2ccncc2)C1
InChIInChI=1S/C20H18N2O2/c23-20(19-7-3-5-15-4-1-2-6-18(15)19)22-13-10-17(14-22)24-16-8-11-21-12-9-16/h1-9,11-12,17H,10,13-14H2/t17-/m1/s1
InChIKeyXYQSCBBPPPLWCS-QGZVFWFLSA-N
XLogP3.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
CID 122160882
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
furan-2-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124725318
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255746
(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
CID 166194792
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone
CID 124568654
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone (CID 124878377) is naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone is O=C(c1cccc2ccccc12)N1CC[C@@H](Oc2ccncc2)C1.
What is the InChIKey of naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone?
The InChIKey is XYQSCBBPPPLWCS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(19-7-3-5-15-4-1-2-6-18(15)19)22-13-10-17(14-22)24-16-8-11-21-12-9-16/h1-9,11-12,17H,10,13-14H2/t17-/m1/s1.
What are the key properties of naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone?
naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone has a molecular weight of 318.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 124878377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).