3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid

C17H15N3O2 — CID 19258534

IUPAC3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid
SMILESCc1ccc2c(Nc3cccc(C(=O)O)c3)cc(C)nc2n1
InChIInChI=1S/C17H15N3O2/c1-10-6-7-14-15(8-11(2)19-16(14)18-10)20-13-5-3-4-12(9-13)17(21)22/h3-9H,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyAICUNAQTVINIGT-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.69
Rot. Bonds3

About 3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid

3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid (PubChem CID 19258534) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid
PubChem CID19258534
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid
SMILESCc1ccc2c(Nc3cccc(C(=O)O)c3)cc(C)nc2n1
InChIInChI=1S/C17H15N3O2/c1-10-6-7-14-15(8-11(2)19-16(14)18-10)20-13-5-3-4-12(9-13)17(21)22/h3-9H,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyAICUNAQTVINIGT-UHFFFAOYSA-N
XLogP3.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 702836
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790119
N-(3-chlorophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine
CID 19258540
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
2,7-dimethyl-N-(3-nitrophenyl)-1,8-naphthyridin-4-amine
CID 19258585
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
N-(4-fluorophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine
CID 19258555
3-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 4137398
methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2790120
3-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767951

Frequently Asked Questions

What is the IUPAC name of 3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid?
The IUPAC name of 3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid (CID 19258534) is 3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid?
The canonical SMILES for 3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid is Cc1ccc2c(Nc3cccc(C(=O)O)c3)cc(C)nc2n1.
What is the InChIKey of 3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid?
The InChIKey is AICUNAQTVINIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-6-7-14-15(8-11(2)19-16(14)18-10)20-13-5-3-4-12(9-13)17(21)22/h3-9H,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of 3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid?
3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid has a molecular weight of 293.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid is sourced from PubChem (CID 19258534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).