methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate

C13H14ClN3O2 — CID 175104405

IUPACmethyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cc2ccnc(Cl)c2nc1C
InChIInChI=1S/C13H14ClN3O2/c1-8-10(6-15-7-11(18)19-2)5-9-3-4-16-13(14)12(9)17-8/h3-5,15H,6-7H2,1-2H3
InChIKeyZOBVMYUNBWUQAF-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.85
Rot. Bonds4

About methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate

methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate (PubChem CID 175104405) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate
PubChem CID175104405
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Namemethyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cc2ccnc(Cl)c2nc1C
InChIInChI=1S/C13H14ClN3O2/c1-8-10(6-15-7-11(18)19-2)5-9-3-4-16-13(14)12(9)17-8/h3-5,15H,6-7H2,1-2H3
InChIKeyZOBVMYUNBWUQAF-UHFFFAOYSA-N
XLogP1.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.85
H-Bond Donors ≤ 51
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-[(2,5-dimethylphenyl)methylamino]acetate
CID 60687577
methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate
CID 129318972
methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
CID 28567058
methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
CID 115232862
methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
CID 115232874
methyl 2-(3-bromo-2-chloro-4-pyridinyl)acetate
CID 130923502
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
CID 115232918
ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate
CID 178141792
methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
methyl 2-[(2,5-difluorophenyl)methylamino]acetate
CID 43312522
methyl 2-[(3,5-dimethylphenyl)methylamino]acetate
CID 60687760

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate (CID 175104405) is methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate is COC(=O)CNCc1cc2ccnc(Cl)c2nc1C.
What is the InChIKey of methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate?
The InChIKey is ZOBVMYUNBWUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-10(6-15-7-11(18)19-2)5-9-3-4-16-13(14)12(9)17-8/h3-5,15H,6-7H2,1-2H3.
What are the key properties of methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate?
methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate has a molecular weight of 279.73 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate is sourced from PubChem (CID 175104405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).