1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one

C17H20N2O2 — CID 175195650

IUPAC1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one
SMILESCC(=O)COC1(CCc2ccc3ncccc3n2)CCC1
InChIInChI=1S/C17H20N2O2/c1-13(20)12-21-17(8-3-9-17)10-7-14-5-6-15-16(19-14)4-2-11-18-15/h2,4-6,11H,3,7-10,12H2,1H3
InChIKeyFXWGXJWQWXNYTK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.09
Rot. Bonds6

About 1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one

1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one (PubChem CID 175195650) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one.

Molecular Properties

Compound Name1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one
PubChem CID175195650
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one
SMILESCC(=O)COC1(CCc2ccc3ncccc3n2)CCC1
InChIInChI=1S/C17H20N2O2/c1-13(20)12-21-17(8-3-9-17)10-7-14-5-6-15-16(19-14)4-2-11-18-15/h2,4-6,11H,3,7-10,12H2,1H3
InChIKeyFXWGXJWQWXNYTK-UHFFFAOYSA-N
XLogP3.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,5-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 67517766
2-(2-methylpropyl)-1,5-naphthyridine
CID 58854024
2-oxopropyl hydrogen sulfate;quinoline
CID 174602490
2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine
CID 70114161
2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine;hydrochloride
CID 70114160
N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide
CID 122558840
methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate
CID 103272848
1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone
CID 106796916
4-(1-methyltriazol-4-yl)-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one
CID 57330469
tert-butyl N-[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamate
CID 66606109
4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one
CID 67517926
acetic acid;quinoline
CID 67159702

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one?
The IUPAC name of 1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one (CID 175195650) is 1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one.
What is the SMILES notation for 1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one?
The canonical SMILES for 1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one is CC(=O)COC1(CCc2ccc3ncccc3n2)CCC1.
What is the InChIKey of 1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one?
The InChIKey is FXWGXJWQWXNYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(20)12-21-17(8-3-9-17)10-7-14-5-6-15-16(19-14)4-2-11-18-15/h2,4-6,11H,3,7-10,12H2,1H3.
What are the key properties of 1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one?
1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1,5-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one is sourced from PubChem (CID 175195650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).