5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid

C13H19N3O3 — CID 81438909

IUPAC5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(CC1CCCO1)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H19N3O3/c1-2-16(8-10-4-3-5-19-10)12-11(14)6-9(7-15-12)13(17)18/h6-7,10H,2-5,8,14H2,1H3,(H,17,18)
InChIKeyBEBNPVCEKBVJGG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.37
Rot. Bonds5

About 5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid

5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid (PubChem CID 81438909) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
PubChem CID81438909
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(CC1CCCO1)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H19N3O3/c1-2-16(8-10-4-3-5-19-10)12-11(14)6-9(7-15-12)13(17)18/h6-7,10H,2-5,8,14H2,1H3,(H,17,18)
InChIKeyBEBNPVCEKBVJGG-UHFFFAOYSA-N
XLogP1.37
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62000205
5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid
CID 81439101
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337
3-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062367
5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
CID 81439403
3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813
6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66457647
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729
5-amino-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 81439658
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
4-[ethyl(oxolan-2-ylmethyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052982

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid (CID 81438909) is 5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid is CCN(CC1CCCO1)c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is BEBNPVCEKBVJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-16(8-10-4-3-5-19-10)12-11(14)6-9(7-15-12)13(17)18/h6-7,10H,2-5,8,14H2,1H3,(H,17,18).
What are the key properties of 5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81438909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).