methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate

C12H14N2O3 — CID 169479439

IUPACmethyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(NC(C)=O)nc1C
InChIInChI=1S/C12H14N2O3/c1-8-10(5-7-12(16)17-3)4-6-11(13-8)14-9(2)15/h4-7H,1-3H3,(H,13,14,15)
InChIKeyZZMXIPZJJQTLHQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.53
Rot. Bonds3

About methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate

methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate (PubChem CID 169479439) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate
PubChem CID169479439
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(NC(C)=O)nc1C
InChIInChI=1S/C12H14N2O3/c1-8-10(5-7-12(16)17-3)4-6-11(13-8)14-9(2)15/h4-7H,1-3H3,(H,13,14,15)
InChIKeyZZMXIPZJJQTLHQ-UHFFFAOYSA-N
XLogP1.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.53
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

N-[5-(4-hydroxybut-1-enyl)-6-methyl-2-pyridinyl]acetamide
CID 170477165
N-[6-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]acetamide
CID 74788292
methyl (E)-3-(6-acetamido-3-pyridinyl)prop-2-enoate
CID 86754877
methyl 3-(2-acetamido-3-methylphenyl)prop-2-enoate
CID 57041202
methyl 3-(2-chloro-4-methylpyrimidin-5-yl)prop-2-enoate
CID 169478723
methyl 3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enoate
CID 169479121
ethyl (E)-3-(2,6-dimethyl-3-pyridinyl)prop-2-enoate
CID 164663019
methyl (E)-3-(2-methoxy-4-methylphenyl)(113C)prop-2-enoate
CID 42638371
methyl 3-(2-methoxy-4-methylphenyl)prop-2-enoate
CID 74833578
2-bromo-4-chlorobenzaldehyde;methyl (E)-3-(2-bromo-4-chlorophenyl)prop-2-enoate
CID 158910064
methyl (E)-3-[4-amino-2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 20667123
methyl (E)-3-(2,3,4-trifluorophenyl)prop-2-enoate
CID 131886234

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate (CID 169479439) is methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate is COC(=O)C=Cc1ccc(NC(C)=O)nc1C.
What is the InChIKey of methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate?
The InChIKey is ZZMXIPZJJQTLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-10(5-7-12(16)17-3)4-6-11(13-8)14-9(2)15/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate?
methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate has a molecular weight of 234.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-acetamido-2-methyl-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 169479439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).