7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one

C15H17N3O3 — CID 92610698

IUPAC7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
SMILESCOCC(=O)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1
InChIInChI=1S/C15H17N3O3/c1-21-9-14(19)18-6-4-10(8-18)12-7-13-11(15(20)17-12)3-2-5-16-13/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyPYLFDCFMOYSXDN-JTQLQIEISA-N
MW287.32 g/mol
LogP0.89
Rot. Bonds3

About 7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one

7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one (PubChem CID 92610698) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
PubChem CID92610698
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
SMILESCOCC(=O)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1
InChIInChI=1S/C15H17N3O3/c1-21-9-14(19)18-6-4-10(8-18)12-7-13-11(15(20)17-12)3-2-5-16-13/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyPYLFDCFMOYSXDN-JTQLQIEISA-N
XLogP0.89
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92571730
7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92567095
7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 110224108
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
2-(dimethylamino)-7-[(3S)-1-(3-methoxypropanoyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607310
2-(2-methoxyphenyl)-1-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 110236396
2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 125008304
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607320

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one (CID 92610698) is 7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one is COCC(=O)N1CC[C@H](c2cc3ncccc3c(=O)[nH]2)C1.
What is the InChIKey of 7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The InChIKey is PYLFDCFMOYSXDN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-9-14(19)18-6-4-10(8-18)12-7-13-11(15(20)17-12)3-2-5-16-13/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,17,20)/t10-/m0/s1.
What are the key properties of 7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one has a molecular weight of 287.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 92610698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).