3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione

C14H12ClN3O2 — CID 177017366

IUPAC3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione
SMILESCc1nc2ccc(Cl)nc2cc1C1CCC(=O)NC1=O
InChIInChI=1S/C14H12ClN3O2/c1-7-9(8-2-5-13(19)18-14(8)20)6-11-10(16-7)3-4-12(15)17-11/h3-4,6,8H,2,5H2,1H3,(H,18,19,20)
InChIKeyJIHRKNCHOAPDIE-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.11
Rot. Bonds1

About 3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione

3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione (PubChem CID 177017366) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione
PubChem CID177017366
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione
SMILESCc1nc2ccc(Cl)nc2cc1C1CCC(=O)NC1=O
InChIInChI=1S/C14H12ClN3O2/c1-7-9(8-2-5-13(19)18-14(8)20)6-11-10(16-7)3-4-12(15)17-11/h3-4,6,8H,2,5H2,1H3,(H,18,19,20)
InChIKeyJIHRKNCHOAPDIE-UHFFFAOYSA-N
XLogP2.11
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(7-hydroxy-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 166151987
3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 164563329
3-(6-bromo-5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione;ethane
CID 177015948
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride
CID 175590062
3-[6-(5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-2-methylquinolin-3-yl]piperidine-2,6-dione
CID 177017584
tert-butyl 2-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinoline-6-carbonyl]amino]acetate
CID 171788885
5-(7-amino-2-methylquinolin-3-yl)-6-methylidenepiperidin-2-one
CID 167151208
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-7-yl]methyl]urea
CID 164563310
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017220
3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione (CID 177017366) is 3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione is Cc1nc2ccc(Cl)nc2cc1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione?
The InChIKey is JIHRKNCHOAPDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-7-9(8-2-5-13(19)18-14(8)20)6-11-10(16-7)3-4-12(15)17-11/h3-4,6,8H,2,5H2,1H3,(H,18,19,20).
What are the key properties of 3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione?
3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione has a molecular weight of 289.72 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methyl-1,5-naphthyridin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 177017366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).