methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate

C16H18ClN3O2 — CID 175554464

IUPACmethyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate
SMILESCOC(=O)C(C)c1ncc(N2CCC2C)c2cnc(Cl)cc12
InChIInChI=1S/C16H18ClN3O2/c1-9-4-5-20(9)13-8-19-15(10(2)16(21)22-3)11-6-14(17)18-7-12(11)13/h6-10H,4-5H2,1-3H3
InChIKeyHYWHLXSQKBQZIW-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.16
Rot. Bonds3

About methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate

methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate (PubChem CID 175554464) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate
PubChem CID175554464
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Namemethyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate
SMILESCOC(=O)C(C)c1ncc(N2CCC2C)c2cnc(Cl)cc12
InChIInChI=1S/C16H18ClN3O2/c1-9-4-5-20(9)13-8-19-15(10(2)16(21)22-3)11-6-14(17)18-7-12(11)13/h6-10H,4-5H2,1-3H3
InChIKeyHYWHLXSQKBQZIW-UHFFFAOYSA-N
XLogP3.16
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate?
The IUPAC name of methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate (CID 175554464) is methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate.
What is the SMILES notation for methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate?
The canonical SMILES for methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate is COC(=O)C(C)c1ncc(N2CCC2C)c2cnc(Cl)cc12.
What is the InChIKey of methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate?
The InChIKey is HYWHLXSQKBQZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-9-4-5-20(9)13-8-19-15(10(2)16(21)22-3)11-6-14(17)18-7-12(11)13/h6-10H,4-5H2,1-3H3.
What are the key properties of methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate?
methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate has a molecular weight of 319.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate is sourced from PubChem (CID 175554464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).