5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid

C14H16N4O2 — CID 81439693

IUPAC5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(Cc1ccccn1)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C14H16N4O2/c1-2-18(9-11-5-3-4-6-16-11)13-12(15)7-10(8-17-13)14(19)20/h3-8H,2,9,15H2,1H3,(H,19,20)
InChIKeyJCEGNTTUPCGTBB-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.78
Rot. Bonds5

About 5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid

5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid (PubChem CID 81439693) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
PubChem CID81439693
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(Cc1ccccn1)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C14H16N4O2/c1-2-18(9-11-5-3-4-6-16-11)13-12(15)7-10(8-17-13)14(19)20/h3-8H,2,9,15H2,1H3,(H,19,20)
InChIKeyJCEGNTTUPCGTBB-UHFFFAOYSA-N
XLogP1.78
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid (CID 81439693) is 5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid is CCN(Cc1ccccn1)c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is JCEGNTTUPCGTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-18(9-11-5-3-4-6-16-11)13-12(15)7-10(8-17-13)14(19)20/h3-8H,2,9,15H2,1H3,(H,19,20).
What are the key properties of 5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid?
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).