5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid

C15H17N3O3 — CID 122048078

IUPAC5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
SMILESCc1cccc(OC(C)CNc2cnc(C(=O)O)cn2)c1
InChIInChI=1S/C15H17N3O3/c1-10-4-3-5-12(6-10)21-11(2)7-17-14-9-16-13(8-18-14)15(19)20/h3-6,8-9,11H,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOIPVXPNVYUIVKX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.36
Rot. Bonds6

About 5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid

5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid (PubChem CID 122048078) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
PubChem CID122048078
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
SMILESCc1cccc(OC(C)CNc2cnc(C(=O)O)cn2)c1
InChIInChI=1S/C15H17N3O3/c1-10-4-3-5-12(6-10)21-11(2)7-17-14-9-16-13(8-18-14)15(19)20/h3-6,8-9,11H,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOIPVXPNVYUIVKX-UHFFFAOYSA-N
XLogP2.36
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid 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

5-[2-(2-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048266
5-[2-(4-methylphenoxy)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685028
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336
1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971444
5-[2-(3-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133484456
5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid
CID 122053273
3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 46736308
5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid
CID 122048084
5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid
CID 122053074
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
CID 54797800
6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide
CID 133341092
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid (CID 122048078) is 5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid is Cc1cccc(OC(C)CNc2cnc(C(=O)O)cn2)c1.
What is the InChIKey of 5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid?
The InChIKey is OIPVXPNVYUIVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-3-5-12(6-10)21-11(2)7-17-14-9-16-13(8-18-14)15(19)20/h3-6,8-9,11H,7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid?
5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122048078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).