methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate

C20H17N5O3 — CID 53178349

IUPACmethyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2c(-c3nc(C)no3)cnc3nc(C)ccc23)c1
InChIInChI=1S/C20H17N5O3/c1-11-7-8-15-17(24-14-6-4-5-13(9-14)20(26)27-3)16(10-21-18(15)22-11)19-23-12(2)25-28-19/h4-10H,1-3H3,(H,21,22,24)
InChIKeyHKQXRCYRKGQFBP-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.83
Rot. Bonds4

About methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate

methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate (PubChem CID 53178349) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate
PubChem CID53178349
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Namemethyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2c(-c3nc(C)no3)cnc3nc(C)ccc23)c1
InChIInChI=1S/C20H17N5O3/c1-11-7-8-15-17(24-14-6-4-5-13(9-14)20(26)27-3)16(10-21-18(15)22-11)19-23-12(2)25-28-19/h4-10H,1-3H3,(H,21,22,24)
InChIKeyHKQXRCYRKGQFBP-UHFFFAOYSA-N
XLogP3.83
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methylphenyl)-1,8-naphthyridin-4-amine;hydrochloride
CID 146064357
N-(3-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine;hydrochloride
CID 146064374
methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132008
methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine
CID 53178434
methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132058
N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine
CID 53178418
N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
CID 146064465
N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
CID 146064457
methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132016
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate
CID 95092578

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate?
The IUPAC name of methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate (CID 53178349) is methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate is COC(=O)c1cccc(Nc2c(-c3nc(C)no3)cnc3nc(C)ccc23)c1.
What is the InChIKey of methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate?
The InChIKey is HKQXRCYRKGQFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-11-7-8-15-17(24-14-6-4-5-13(9-14)20(26)27-3)16(10-21-18(15)22-11)19-23-12(2)25-28-19/h4-10H,1-3H3,(H,21,22,24).
What are the key properties of methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate?
methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate has a molecular weight of 375.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate is sourced from PubChem (CID 53178349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).