5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid

C12H12N4O2 — CID 114407286

IUPAC5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
SMILESCc1ccc(Nc2nc(C(=O)O)ccc2N)cn1
InChIInChI=1S/C12H12N4O2/c1-7-2-3-8(6-14-7)15-11-9(13)4-5-10(16-11)12(17)18/h2-6H,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyCOHHMLZVQOCIPK-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.81
Rot. Bonds3

About 5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid

5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid (PubChem CID 114407286) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
PubChem CID114407286
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
SMILESCc1ccc(Nc2nc(C(=O)O)ccc2N)cn1
InChIInChI=1S/C12H12N4O2/c1-7-2-3-8(6-14-7)15-11-9(13)4-5-10(16-11)12(17)18/h2-6H,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyCOHHMLZVQOCIPK-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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Related Compounds

5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
CID 114405561
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid
CID 114405229
5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
CID 107615648
5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
CID 114407056
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114407156
5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid
CID 114405280
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
CID 114404958
3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
CID 105382529
4-[(3-amino-6-methyl-2-pyridinyl)amino]phenol
CID 82061053
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid (CID 114407286) is 5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid is Cc1ccc(Nc2nc(C(=O)O)ccc2N)cn1.
What is the InChIKey of 5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid?
The InChIKey is COHHMLZVQOCIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7-2-3-8(6-14-7)15-11-9(13)4-5-10(16-11)12(17)18/h2-6H,13H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid?
5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-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 5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114407286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).