7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one

C18H21N3O3 — CID 92571730

IUPAC7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
SMILESO=C(C1CCOCC1)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1
InChIInChI=1S/C18H21N3O3/c22-17-14-2-1-6-19-16(14)10-15(20-17)13-3-7-21(11-13)18(23)12-4-8-24-9-5-12/h1-2,6,10,12-13H,3-5,7-9,11H2,(H,20,22)/t13-/m0/s1
InChIKeyGMAFUZJVMNUMRN-ZDUSSCGKSA-N
MW327.38 g/mol
LogP1.67
Rot. Bonds2

About 7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one

7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one (PubChem CID 92571730) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
PubChem CID92571730
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
SMILESO=C(C1CCOCC1)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1
InChIInChI=1S/C18H21N3O3/c22-17-14-2-1-6-19-16(14)10-15(20-17)13-3-7-21(11-13)18(23)12-4-8-24-9-5-12/h1-2,6,10,12-13H,3-5,7-9,11H2,(H,20,22)/t13-/m0/s1
InChIKeyGMAFUZJVMNUMRN-ZDUSSCGKSA-N
XLogP1.67
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92610698
7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92567095
7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92583326
7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one
CID 22931147
7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 110224108
cyclobutyl-[(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 92577985
7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92597472
7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92611469
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 124971996
7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92595370
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95829883

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one (CID 92571730) is 7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one is O=C(C1CCOCC1)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1.
What is the InChIKey of 7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The InChIKey is GMAFUZJVMNUMRN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17-14-2-1-6-19-16(14)10-15(20-17)13-3-7-21(11-13)18(23)12-4-8-24-9-5-12/h1-2,6,10,12-13H,3-5,7-9,11H2,(H,20,22)/t13-/m0/s1.
What are the key properties of 7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one has a molecular weight of 327.38 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 92571730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).