3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid

C12H12N4O2 — CID 79043675

IUPAC3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
SMILESCc1ncccc1Nc1nccc(C(=O)O)c1N
InChIInChI=1S/C12H12N4O2/c1-7-9(3-2-5-14-7)16-11-10(13)8(12(17)18)4-6-15-11/h2-6H,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyIQEAIHKXVRNQDX-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.81
Rot. Bonds3

About 3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid

3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid (PubChem CID 79043675) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
PubChem CID79043675
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
SMILESCc1ncccc1Nc1nccc(C(=O)O)c1N
InChIInChI=1S/C12H12N4O2/c1-7-9(3-2-5-14-7)16-11-10(13)8(12(17)18)4-6-15-11/h2-6H,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyIQEAIHKXVRNQDX-UHFFFAOYSA-N
XLogP1.81
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid (CID 79043675) is 3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid is Cc1ncccc1Nc1nccc(C(=O)O)c1N.
What is the InChIKey of 3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid?
The InChIKey is IQEAIHKXVRNQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7-9(3-2-5-14-7)16-11-10(13)8(12(17)18)4-6-15-11/h2-6H,13H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid?
3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 79043675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).