5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid

C15H17N3O2 — CID 114405133

IUPAC5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid
SMILESCCN(c1ccccc1C)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C15H17N3O2/c1-3-18(13-7-5-4-6-10(13)2)14-11(16)8-9-12(17-14)15(19)20/h4-9H,3,16H2,1-2H3,(H,19,20)
InChIKeyOCQKSBPJCXZGTF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.83
Rot. Bonds4

About 5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid

5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid (PubChem CID 114405133) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid
PubChem CID114405133
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid
SMILESCCN(c1ccccc1C)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C15H17N3O2/c1-3-18(13-7-5-4-6-10(13)2)14-11(16)8-9-12(17-14)15(19)20/h4-9H,3,16H2,1-2H3,(H,19,20)
InChIKeyOCQKSBPJCXZGTF-UHFFFAOYSA-N
XLogP2.83
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid (CID 114405133) is 5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid is CCN(c1ccccc1C)c1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is OCQKSBPJCXZGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-18(13-7-5-4-6-10(13)2)14-11(16)8-9-12(17-14)15(19)20/h4-9H,3,16H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid?
5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114405133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).