methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate

C16H18ClN3O2 — CID 175554513

IUPACmethyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1c1ncc(C(C)C)c2cc(Cl)ncc12
InChIInChI=1S/C16H18ClN3O2/c1-9(2)11-7-19-15(12-8-18-14(17)6-10(11)12)20-5-4-13(20)16(21)22-3/h6-9,13H,4-5H2,1-3H3
InChIKeyBQYYDFZJVVRXDG-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.16
Rot. Bonds3

About methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate

methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate (PubChem CID 175554513) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate
PubChem CID175554513
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Namemethyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1c1ncc(C(C)C)c2cc(Cl)ncc12
InChIInChI=1S/C16H18ClN3O2/c1-9(2)11-7-19-15(12-8-18-14(17)6-10(11)12)20-5-4-13(20)16(21)22-3/h6-9,13H,4-5H2,1-3H3
InChIKeyBQYYDFZJVVRXDG-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 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate (CID 175554513) is methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate is COC(=O)C1CCN1c1ncc(C(C)C)c2cc(Cl)ncc12.
What is the InChIKey of methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate?
The InChIKey is BQYYDFZJVVRXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-9(2)11-7-19-15(12-8-18-14(17)6-10(11)12)20-5-4-13(20)16(21)22-3/h6-9,13H,4-5H2,1-3H3.
What are the key properties of methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate?
methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate 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 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate is sourced from PubChem (CID 175554513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).