5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid

C14H13N3O4 — CID 114405280

IUPAC5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13N3O4/c15-9-2-3-10(14(18)19)17-13(9)16-8-1-4-11-12(7-8)21-6-5-20-11/h1-4,7H,5-6,15H2,(H,16,17)(H,18,19)
InChIKeyACYXOQFZBNBZES-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.88
Rot. Bonds3

About 5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid

5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid (PubChem CID 114405280) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid
PubChem CID114405280
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13N3O4/c15-9-2-3-10(14(18)19)17-13(9)16-8-1-4-11-12(7-8)21-6-5-20-11/h1-4,7H,5-6,15H2,(H,16,17)(H,18,19)
InChIKeyACYXOQFZBNBZES-UHFFFAOYSA-N
XLogP1.88
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
CID 114405561
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
2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methoxypyridine-2,3-diamine
CID 115320330
5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 114407286
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
CID 79915694
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-2-carboxylic acid
CID 43143014
5-amino-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxylic acid
CID 81440039
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696589
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine
CID 115320313
1-[4-[[5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19146472

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid (CID 114405280) is 5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid?
The InChIKey is ACYXOQFZBNBZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c15-9-2-3-10(14(18)19)17-13(9)16-8-1-4-11-12(7-8)21-6-5-20-11/h1-4,7H,5-6,15H2,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid?
5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114405280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).