2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid

C10H15N3O2 — CID 61403084

IUPAC2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCCN)n1
InChIInChI=1S/C10H15N3O2/c1-6-5-7(2)13-9(12-4-3-11)8(6)10(14)15/h5H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIFRRYEWRUBTDAS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.77
Rot. Bonds4

About 2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid

2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 61403084) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID61403084
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCCN)n1
InChIInChI=1S/C10H15N3O2/c1-6-5-7(2)13-9(12-4-3-11)8(6)10(14)15/h5H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyIFRRYEWRUBTDAS-UHFFFAOYSA-N
XLogP0.77
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid (CID 61403084) is 2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCCN)n1.
What is the InChIKey of 2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is IFRRYEWRUBTDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-5-7(2)13-9(12-4-3-11)8(6)10(14)15/h5H,3-4,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 61403084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).