5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid

C12H12N4O2 — CID 81439426

IUPAC5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid
SMILESCN(c1cccnc1)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H12N4O2/c1-16(9-3-2-4-14-7-9)11-10(13)5-8(6-15-11)12(17)18/h2-7H,13H2,1H3,(H,17,18)
InChIKeySTQGOLLJCKWEMV-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.52
Rot. Bonds3

About 5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid

5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 81439426) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID81439426
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid
SMILESCN(c1cccnc1)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H12N4O2/c1-16(9-3-2-4-14-7-9)11-10(13)5-8(6-15-11)12(17)18/h2-7H,13H2,1H3,(H,17,18)
InChIKeySTQGOLLJCKWEMV-UHFFFAOYSA-N
XLogP1.52
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
CID 81439249
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
CID 81439195
5-amino-6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 81439567
5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 81439910
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145
5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid
CID 81447117
5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81439113
5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81447512
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid
CID 81439571
5-amino-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 81439658
5-amino-6-[(4-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440229
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81439693

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid (CID 81439426) is 5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid is CN(c1cccnc1)c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is STQGOLLJCKWEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-16(9-3-2-4-14-7-9)11-10(13)5-8(6-15-11)12(17)18/h2-7H,13H2,1H3,(H,17,18).
What are the key properties of 5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid?
5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).