2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate

C13H13N3O3 — CID 82906963

IUPAC2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCCn2ccccc2=O)nc1
InChIInChI=1S/C13H13N3O3/c14-10-4-5-11(15-9-10)13(18)19-8-7-16-6-2-1-3-12(16)17/h1-6,9H,7-8,14H2
InChIKeyDWWXIGFAXPSVJE-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.68
Rot. Bonds4

About 2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate

2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate (PubChem CID 82906963) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate
PubChem CID82906963
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCCn2ccccc2=O)nc1
InChIInChI=1S/C13H13N3O3/c14-10-4-5-11(15-9-10)13(18)19-8-7-16-6-2-1-3-12(16)17/h1-6,9H,7-8,14H2
InChIKeyDWWXIGFAXPSVJE-UHFFFAOYSA-N
XLogP0.68
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxo-1-pyridinyl)ethyl 6-methylpyrimidine-4-carboxylate
CID 71907464
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
butyl 5-aminopyridine-2-carboxylate
CID 81315833
5-hydroxypentyl 5-aminopyridine-2-carboxylate
CID 81315730
2-methylsulfonylethyl 5-aminopyridine-2-carboxylate
CID 81316375
6-hydroxyhexyl 5-aminopyridine-2-carboxylate
CID 104934318
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356
[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate
CID 81315855
methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
CID 82899166
2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate
CID 104934308
cyclopropylmethyl 5-aminopyridine-2-carboxylate
CID 81316089
(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 105407614

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate?
The IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate (CID 82906963) is 2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate is Nc1ccc(C(=O)OCCn2ccccc2=O)nc1.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate?
The InChIKey is DWWXIGFAXPSVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-10-4-5-11(15-9-10)13(18)19-8-7-16-6-2-1-3-12(16)17/h1-6,9H,7-8,14H2.
What are the key properties of 2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate?
2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate has a molecular weight of 259.27 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 82906963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).