ethyl 4-(6-amino-2-pyridinyl)but-3-enoate

C11H14N2O2 — CID 170795572

IUPACethyl 4-(6-amino-2-pyridinyl)but-3-enoate
SMILESCCOC(=O)CC=Cc1cccc(N)n1
InChIInChI=1S/C11H14N2O2/c1-2-15-11(14)8-4-6-9-5-3-7-10(12)13-9/h3-7H,2,8H2,1H3,(H2,12,13)
InChIKeyCXBIGBXXYRVNQW-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.63
Rot. Bonds4

About ethyl 4-(6-amino-2-pyridinyl)but-3-enoate

ethyl 4-(6-amino-2-pyridinyl)but-3-enoate (PubChem CID 170795572) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 4-(6-amino-2-pyridinyl)but-3-enoate.

Molecular Properties

Compound Nameethyl 4-(6-amino-2-pyridinyl)but-3-enoate
PubChem CID170795572
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl 4-(6-amino-2-pyridinyl)but-3-enoate
SMILESCCOC(=O)CC=Cc1cccc(N)n1
InChIInChI=1S/C11H14N2O2/c1-2-15-11(14)8-4-6-9-5-3-7-10(12)13-9/h3-7H,2,8H2,1H3,(H2,12,13)
InChIKeyCXBIGBXXYRVNQW-UHFFFAOYSA-N
XLogP1.63
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(4-ethoxy-4-oxobut-1-enyl)pyridine-2-carboxylate
CID 170796783
ethyl 3-(6-amino-2-pyridinyl)prop-2-enoate
CID 169480000
ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate
CID 170795786
ethyl 4-(3-chlorophenyl)but-3-enoate
CID 170795542
6-(4-ethoxy-4-oxobut-1-enyl)pyridine-3-carboxylic acid
CID 170796204
ethyl 4-isoquinolin-1-ylbut-3-enoate
CID 170796327
ethyl 4-(4-amino-2,6-dimethylphenyl)but-3-enoate
CID 170796171
ethyl 4-(2-methylphenyl)but-3-enoate
CID 86054840
ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate
CID 170795623
ethyl 4-[3-(ethylaminomethyl)phenyl]but-3-enoate
CID 170796522
ethyl 4-(4-amino-2-chloro-3-pyridinyl)but-3-enoate
CID 170797194
ethyl 4-(4-ethylphenyl)but-3-enoate
CID 170795670

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-amino-2-pyridinyl)but-3-enoate?
The IUPAC name of ethyl 4-(6-amino-2-pyridinyl)but-3-enoate (CID 170795572) is ethyl 4-(6-amino-2-pyridinyl)but-3-enoate.
What is the SMILES notation for ethyl 4-(6-amino-2-pyridinyl)but-3-enoate?
The canonical SMILES for ethyl 4-(6-amino-2-pyridinyl)but-3-enoate is CCOC(=O)CC=Cc1cccc(N)n1.
What is the InChIKey of ethyl 4-(6-amino-2-pyridinyl)but-3-enoate?
The InChIKey is CXBIGBXXYRVNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-15-11(14)8-4-6-9-5-3-7-10(12)13-9/h3-7H,2,8H2,1H3,(H2,12,13).
What are the key properties of ethyl 4-(6-amino-2-pyridinyl)but-3-enoate?
ethyl 4-(6-amino-2-pyridinyl)but-3-enoate has a molecular weight of 206.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-amino-2-pyridinyl)but-3-enoate is sourced from PubChem (CID 170795572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).