methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate

C12H14N2O4 — CID 118667816

IUPACmethyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)Cn1ccccc1=O
InChIInChI=1S/C12H14N2O4/c1-18-12(17)6-4-7-13-10(15)9-14-8-3-2-5-11(14)16/h2-6,8H,7,9H2,1H3,(H,13,15)/b6-4+
InChIKeyNEUZNCSDNIJUJK-GQCTYLIASA-N
MW250.25 g/mol
LogP-0.31
Rot. Bonds5

About methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate

methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate (PubChem CID 118667816) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate
PubChem CID118667816
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)Cn1ccccc1=O
InChIInChI=1S/C12H14N2O4/c1-18-12(17)6-4-7-13-10(15)9-14-8-3-2-5-11(14)16/h2-6,8H,7,9H2,1H3,(H,13,15)/b6-4+
InChIKeyNEUZNCSDNIJUJK-GQCTYLIASA-N
XLogP-0.31
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
methyl (E)-4-[[2-(4-methyl-2-oxoquinolin-1-yl)acetyl]amino]but-2-enoate
CID 118667820
methyl (E)-4-[[2-[2-(2-amino-2-oxoethyl)phenyl]acetyl]amino]but-2-enoate
CID 154876872
N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931
N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 111460901
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 111115969
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51176075
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 27686969
ethyl (E)-5-(2-oxo-1-pyridinyl)pent-2-enoate
CID 10104916
benzyl 2-[[2-(2-oxo-1-pyridinyl)acetyl]amino]acetate
CID 51177215
N-[2-(4-chlorophenoxy)propyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71993778
N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 120507247

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate?
The IUPAC name of methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate (CID 118667816) is methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate.
What is the SMILES notation for methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate?
The canonical SMILES for methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate is COC(=O)/C=C/CNC(=O)Cn1ccccc1=O.
What is the InChIKey of methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate?
The InChIKey is NEUZNCSDNIJUJK-GQCTYLIASA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-12(17)6-4-7-13-10(15)9-14-8-3-2-5-11(14)16/h2-6,8H,7,9H2,1H3,(H,13,15)/b6-4+.
What are the key properties of methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate?
methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate has a molecular weight of 250.25 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]but-2-enoate is sourced from PubChem (CID 118667816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).