methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate

C20H19N3O5 — CID 163955322

IUPACmethyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc2nc(-c3cccc(OC)c3)ccc2c1OC
InChIInChI=1S/C20H19N3O5/c1-26-13-6-4-5-12(9-13)15-8-7-14-16(23-15)10-21-18(19(14)28-3)20(25)22-11-17(24)27-2/h4-10H,11H2,1-3H3,(H,22,25)
InChIKeySCVKEZAKXFGPHN-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.22
Rot. Bonds6

About methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate

methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate (PubChem CID 163955322) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate
PubChem CID163955322
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Namemethyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc2nc(-c3cccc(OC)c3)ccc2c1OC
InChIInChI=1S/C20H19N3O5/c1-26-13-6-4-5-12(9-13)15-8-7-14-16(23-15)10-21-18(19(14)28-3)20(25)22-11-17(24)27-2/h4-10H,11H2,1-3H3,(H,22,25)
InChIKeySCVKEZAKXFGPHN-UHFFFAOYSA-N
XLogP2.22
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate (CID 163955322) is methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate is COC(=O)CNC(=O)c1ncc2nc(-c3cccc(OC)c3)ccc2c1OC.
What is the InChIKey of methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate?
The InChIKey is SCVKEZAKXFGPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-26-13-6-4-5-12(9-13)15-8-7-14-16(23-15)10-21-18(19(14)28-3)20(25)22-11-17(24)27-2/h4-10H,11H2,1-3H3,(H,22,25).
What are the key properties of methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate?
methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate has a molecular weight of 381.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-methoxy-2-(3-methoxyphenyl)-1,7-naphthyridine-6-carbonyl]amino]acetate is sourced from PubChem (CID 163955322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).