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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Related Compounds

Methyl 2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)propanoate
CID 90362838
Tert-butyl 2-(7-chloro-2,6-naphthyridin-3-yl)acetate
CID 147058178
Tert-butyl 4-[1-(7-chloro-1,6-naphthyridin-2-yl)-2-ethoxy-2-oxoethyl]piperidine-1-carboxylate
CID 156212445
3-O-tert-butyl 1-O-ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanedioate
CID 156212509
Ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate
CID 156212935
Diethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanedioate
CID 156213033
Ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate
CID 156719479
Methyl 2-(7-chloro-1,6-naphthyridin-2-yl)acetate
CID 162439649
Methyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 162439974
Ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)propanoate
CID 164883937
2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol
CID 166546536
Methyl 2-(4-bromo-7-chloro-2,6-naphthyridin-1-yl)propanoate
CID 166546615

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).