5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid

C13H14N4O2 — CID 81439571

IUPAC5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid
SMILESCC(Nc1ncc(C(=O)O)cc1N)c1cccnc1
InChIInChI=1S/C13H14N4O2/c1-8(9-3-2-4-15-6-9)17-12-11(14)5-10(7-16-12)13(18)19/h2-8H,14H2,1H3,(H,16,17)(H,18,19)
InChIKeyQILBILDRLNELLU-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.93
Rot. Bonds4

About 5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid

5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid (PubChem CID 81439571) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid
PubChem CID81439571
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid
SMILESCC(Nc1ncc(C(=O)O)cc1N)c1cccnc1
InChIInChI=1S/C13H14N4O2/c1-8(9-3-2-4-15-6-9)17-12-11(14)5-10(7-16-12)13(18)19/h2-8H,14H2,1H3,(H,16,17)(H,18,19)
InChIKeyQILBILDRLNELLU-UHFFFAOYSA-N
XLogP1.93
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367
5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81440150
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-2-carboxamide
CID 114405461
5-amino-3-chloro-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 107193997
2-chloro-6-(1-pyridin-3-ylethylamino)pyridine-4-carboxylic acid
CID 43523832
5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 81440054
5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide
CID 146154675
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
methyl 3-amino-2-(1-pyridin-3-ylethylamino)benzoate
CID 115934150
1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone
CID 103427458
5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 62514651

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid (CID 81439571) is 5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid is CC(Nc1ncc(C(=O)O)cc1N)c1cccnc1.
What is the InChIKey of 5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid?
The InChIKey is QILBILDRLNELLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8(9-3-2-4-15-6-9)17-12-11(14)5-10(7-16-12)13(18)19/h2-8H,14H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid?
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81439571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).