methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate

C12H14N2O4 — CID 146141937

IUPACmethyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)c1c(C)cc[nH]c1=O
InChIInChI=1S/C12H14N2O4/c1-8-5-7-14-12(17)10(8)11(16)13-6-3-4-9(15)18-2/h3-5,7H,6H2,1-2H3,(H,13,16)(H,14,17)/b4-3+
InChIKeyPZMIIZNSLKPKDQ-ONEGZZNKSA-N
MW250.25 g/mol
LogP0.14
Rot. Bonds4

About methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate

methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate (PubChem CID 146141937) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate
PubChem CID146141937
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)c1c(C)cc[nH]c1=O
InChIInChI=1S/C12H14N2O4/c1-8-5-7-14-12(17)10(8)11(16)13-6-3-4-9(15)18-2/h3-5,7H,6H2,1-2H3,(H,13,16)(H,14,17)/b4-3+
InChIKeyPZMIIZNSLKPKDQ-ONEGZZNKSA-N
XLogP0.14
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 110648335
N-[2-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110648440
N-(1-hydroxypropan-2-yl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110015228
N-(4-ethoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110650319
4-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 110648736
methyl (E)-4-[(5,6-dimethyl-3H-indene-1-carbonyl)amino]but-2-enoate
CID 157358336
methyl (E)-4-[[5-(trifluoromethyl)-1H-imidazole-4-carbonyl]amino]but-2-enoate
CID 146141858
N-(3-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110650244
methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate
CID 146099757
methyl (E)-4-[[2-[2-(2-amino-2-oxoethyl)phenyl]acetyl]amino]but-2-enoate
CID 154876872
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110014889
methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate
CID 146141917

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate?
The IUPAC name of methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate (CID 146141937) is methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate.
What is the SMILES notation for methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate?
The canonical SMILES for methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate is COC(=O)/C=C/CNC(=O)c1c(C)cc[nH]c1=O.
What is the InChIKey of methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate?
The InChIKey is PZMIIZNSLKPKDQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8-5-7-14-12(17)10(8)11(16)13-6-3-4-9(15)18-2/h3-5,7H,6H2,1-2H3,(H,13,16)(H,14,17)/b4-3+.
What are the key properties of methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate?
methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate has a molecular weight of 250.25 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate is sourced from PubChem (CID 146141937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).