ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate

C13H17N5O2 — CID 115320159

IUPACethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCn1cc(N)cn1
InChIInChI=1S/C13H17N5O2/c1-2-20-13(19)11-4-3-5-15-12(11)16-6-7-18-9-10(14)8-17-18/h3-5,8-9H,2,6-7,14H2,1H3,(H,15,16)
InChIKeyLLWUQAMNYYICNW-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.15
Rot. Bonds6

About ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate

ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate (PubChem CID 115320159) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate
PubChem CID115320159
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Nameethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCn1cc(N)cn1
InChIInChI=1S/C13H17N5O2/c1-2-20-13(19)11-4-3-5-15-12(11)16-6-7-18-9-10(14)8-17-18/h3-5,8-9H,2,6-7,14H2,1H3,(H,15,16)
InChIKeyLLWUQAMNYYICNW-UHFFFAOYSA-N
XLogP1.15
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate
CID 104530067
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
ethyl 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 80688609
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
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ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
CID 104695510
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate (CID 115320159) is ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCCn1cc(N)cn1.
What is the InChIKey of ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate?
The InChIKey is LLWUQAMNYYICNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-20-13(19)11-4-3-5-15-12(11)16-6-7-18-9-10(14)8-17-18/h3-5,8-9H,2,6-7,14H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate?
ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-aminopyrazol-1-yl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 115320159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).