naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone

C19H17N3O2 — CID 122160882

IUPACnaphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(Oc2ccncn2)C1
InChIInChI=1S/C19H17N3O2/c23-19(17-7-3-5-14-4-1-2-6-16(14)17)22-11-9-15(12-22)24-18-8-10-20-13-21-18/h1-8,10,13,15H,9,11-12H2
InChIKeyDIYOPCQMOOXPHJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.92
Rot. Bonds3

About naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone

naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone (PubChem CID 122160882) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
PubChem CID122160882
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Namenaphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(Oc2ccncn2)C1
InChIInChI=1S/C19H17N3O2/c23-19(17-7-3-5-14-4-1-2-6-16(14)17)22-11-9-15(12-22)24-18-8-10-20-13-21-18/h1-8,10,13,15H,9,11-12H2
InChIKeyDIYOPCQMOOXPHJ-UHFFFAOYSA-N
XLogP2.92
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124878377
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259988
3,3-dimethyl-1-(3-pyrimidin-4-yloxypyrrolidin-1-yl)butan-1-one
CID 122160875
(4-methylthiophen-2-yl)-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
CID 122243361
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054
2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122259866
3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 121161926
5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
CID 122259960
(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100613636

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone (CID 122160882) is naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone is O=C(c1cccc2ccccc12)N1CCC(Oc2ccncn2)C1.
What is the InChIKey of naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone?
The InChIKey is DIYOPCQMOOXPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(17-7-3-5-14-4-1-2-6-16(14)17)22-11-9-15(12-22)24-18-8-10-20-13-21-18/h1-8,10,13,15H,9,11-12H2.
What are the key properties of naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone?
naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone has a molecular weight of 319.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 122160882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).