5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid

C13H13N3O2 — CID 114089948

IUPAC5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid
SMILESCN(c1ccccc1)c1cc(C(=O)O)c(N)cn1
InChIInChI=1S/C13H13N3O2/c1-16(9-5-3-2-4-6-9)12-7-10(13(17)18)11(14)8-15-12/h2-8H,14H2,1H3,(H,17,18)
InChIKeyLRKRQLUCUWODAF-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.13
Rot. Bonds3

About 5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid

5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid (PubChem CID 114089948) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid
PubChem CID114089948
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid
SMILESCN(c1ccccc1)c1cc(C(=O)O)c(N)cn1
InChIInChI=1S/C13H13N3O2/c1-16(9-5-3-2-4-6-9)12-7-10(13(17)18)11(14)8-15-12/h2-8H,14H2,1H3,(H,17,18)
InChIKeyLRKRQLUCUWODAF-UHFFFAOYSA-N
XLogP2.13
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
[4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone
CID 102545394
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
2-N-methyl-2-N-phenylpyrazine-2,5-diamine
CID 80652366
5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114090156
2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 114090177
2-methyl-4-(N-methylanilino)benzoic acid
CID 62136290
5-amino-2-(2-fluoro-N-methylanilino)pyridine-3-carboxylic acid
CID 114047146
5-(N-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289424
2-N-(3-methoxyphenyl)-2-N,5-dimethylpyridine-2,4-diamine
CID 83265143
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid?
The IUPAC name of 5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid (CID 114089948) is 5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid is CN(c1ccccc1)c1cc(C(=O)O)c(N)cn1.
What is the InChIKey of 5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid?
The InChIKey is LRKRQLUCUWODAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16(9-5-3-2-4-6-9)12-7-10(13(17)18)11(14)8-15-12/h2-8H,14H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid?
5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114089948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).