ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate

C11H12N2O3 — CID 169480330

IUPACethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(C(N)=O)n1
InChIInChI=1S/C11H12N2O3/c1-2-16-10(14)7-6-8-4-3-5-9(13-8)11(12)15/h3-7H,2H2,1H3,(H2,12,15)
InChIKeyJRLXXVXWSCYAAQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.76
Rot. Bonds4

About ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate

ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate (PubChem CID 169480330) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate
PubChem CID169480330
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(C(N)=O)n1
InChIInChI=1S/C11H12N2O3/c1-2-16-10(14)7-6-8-4-3-5-9(13-8)11(12)15/h3-7H,2H2,1H3,(H2,12,15)
InChIKeyJRLXXVXWSCYAAQ-UHFFFAOYSA-N
XLogP0.76
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[6-(3-ethoxy-3-oxoprop-1-enyl)-2-pyridinyl]prop-2-enoic acid
CID 67083970
ethyl 3-(6-amino-2-pyridinyl)prop-2-enoate
CID 169480000
6-(2-cyanoethenyl)pyridine-2-carboxamide
CID 169483449
ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate
CID 169479999
methyl 3-(6-acetyl-2-pyridinyl)prop-2-enoate
CID 169479066
ethyl (E)-3-[6-[(Z)-3-pyrrolidin-1-yl-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enoate
CID 10430059
ethyl (E)-3-isoquinolin-3-ylprop-2-enoate
CID 67289613
ethyl (E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enoate;3-hydroperoxyperoxyprop-1-yne
CID 160818434
ethyl 6-(4-ethoxy-4-oxobut-1-enyl)pyridine-2-carboxylate
CID 170796783
6-(3-amino-3-oxoprop-1-enyl)pyridine-2-carboxylic acid
CID 169481846
ethyl 3-(5-hydroxy-2-pyridinyl)prop-2-enoate
CID 67270386
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate?
The IUPAC name of ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate (CID 169480330) is ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate is CCOC(=O)C=Cc1cccc(C(N)=O)n1.
What is the InChIKey of ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate?
The InChIKey is JRLXXVXWSCYAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-16-10(14)7-6-8-4-3-5-9(13-8)11(12)15/h3-7H,2H2,1H3,(H2,12,15).
What are the key properties of ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate?
ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate has a molecular weight of 220.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 169480330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).