5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid

C14H15N3O4 — CID 81447017

IUPAC5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c(Nc2ncc(C(=O)O)cc2N)c1
InChIInChI=1S/C14H15N3O4/c1-20-9-3-4-12(21-2)11(6-9)17-13-10(15)5-8(7-16-13)14(18)19/h3-7H,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHRHKFUDNRAGVFL-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.12
Rot. Bonds5

About 5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid

5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid (PubChem CID 81447017) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid
PubChem CID81447017
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c(Nc2ncc(C(=O)O)cc2N)c1
InChIInChI=1S/C14H15N3O4/c1-20-9-3-4-12(21-2)11(6-9)17-13-10(15)5-8(7-16-13)14(18)19/h3-7H,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHRHKFUDNRAGVFL-UHFFFAOYSA-N
XLogP2.12
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid
CID 81440060
N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide
CID 19142733
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
2-N-(2,4-dimethoxyphenyl)-5-methylpyridine-2,3-diamine
CID 66280389
4-[[4,6-bis(2,5-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
CID 1270210
2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid
CID 43166932
N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19142738
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
2-N-(2,5-dimethoxyphenyl)-6-methoxypyridine-2,3-diamine
CID 115320342
5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid
CID 103587165
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142796
4-N,6-N-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494751

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid (CID 81447017) is 5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid is COc1ccc(OC)c(Nc2ncc(C(=O)O)cc2N)c1.
What is the InChIKey of 5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is HRHKFUDNRAGVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-9-3-4-12(21-2)11(6-9)17-13-10(15)5-8(7-16-13)14(18)19/h3-7H,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid?
5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81447017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).