ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate

C11H12N2O3 — CID 102078444

IUPACethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate
SMILESCCOC(=O)/C=C/NC(=O)c1cccnc1
InChIInChI=1S/C11H12N2O3/c1-2-16-10(14)5-7-13-11(15)9-4-3-6-12-8-9/h3-8H,2H2,1H3,(H,13,15)/b7-5+
InChIKeyDZTVDSZBNBCLDV-FNORWQNLSA-N
MW220.23 g/mol
LogP0.89
Rot. Bonds4

About ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate

ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate (PubChem CID 102078444) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate
PubChem CID102078444
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate
SMILESCCOC(=O)/C=C/NC(=O)c1cccnc1
InChIInChI=1S/C11H12N2O3/c1-2-16-10(14)5-7-13-11(15)9-4-3-6-12-8-9/h3-8H,2H2,1H3,(H,13,15)/b7-5+
InChIKeyDZTVDSZBNBCLDV-FNORWQNLSA-N
XLogP0.89
TPSA68.29 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 ≤ 50.89
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

ethyl 3-pyridin-3-ylbut-2-enoate
CID 54400359
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
ethyl (E)-3-(2-aminoanilino)-3-pyridin-3-ylprop-2-enoate
CID 66486835
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
ethyl 4-[4-(pyridine-3-carbonylamino)anilino]benzoate
CID 112989376
N-methylpyridine-3-carboxamide chloride
CID 20976730
ethyl (2R)-2-acetyl-4,4,4-trifluoro-3-(pyridine-3-carbonylamino)-3-(trifluoromethyl)butanoate
CID 7745671
2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl acetate
CID 174633921
ethyl 3-(pyridine-3-carbonyl)but-3-enoate
CID 22457754
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate
CID 86741940

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate (CID 102078444) is ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate is CCOC(=O)/C=C/NC(=O)c1cccnc1.
What is the InChIKey of ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate?
The InChIKey is DZTVDSZBNBCLDV-FNORWQNLSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-16-10(14)5-7-13-11(15)9-4-3-6-12-8-9/h3-8H,2H2,1H3,(H,13,15)/b7-5+.
What are the key properties of ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate?
ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate has a molecular weight of 220.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate is sourced from PubChem (CID 102078444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).