methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate

C14H18N2O4 — CID 146141917

IUPACmethyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate
SMILESCCOc1nc(C)ccc1C(=O)NC/C=C/C(=O)OC
InChIInChI=1S/C14H18N2O4/c1-4-20-14-11(8-7-10(2)16-14)13(18)15-9-5-6-12(17)19-3/h5-8H,4,9H2,1-3H3,(H,15,18)/b6-5+
InChIKeyIVIBCCPUSXANKT-AATRIKPKSA-N
MW278.31 g/mol
LogP1.25
Rot. Bonds6

About methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate

methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate (PubChem CID 146141917) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate
PubChem CID146141917
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate
SMILESCCOc1nc(C)ccc1C(=O)NC/C=C/C(=O)OC
InChIInChI=1S/C14H18N2O4/c1-4-20-14-11(8-7-10(2)16-14)13(18)15-9-5-6-12(17)19-3/h5-8H,4,9H2,1-3H3,(H,15,18)/b6-5+
InChIKeyIVIBCCPUSXANKT-AATRIKPKSA-N
XLogP1.25
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.25
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

2-ethoxy-N-[4-ethoxy-2-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 119049112
methyl (E)-4-[(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]but-2-enoate
CID 146105972
methyl (E)-4-[(5-methyl-2-phenylfuran-3-carbonyl)amino]but-2-enoate
CID 118667836
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide
CID 119047086
methyl (E)-4-[[2-(cyclopropylamino)-5-methylbenzoyl]amino]but-2-enoate
CID 146141811
methyl (E)-4-[[5-(trifluoromethyl)-1H-imidazole-4-carbonyl]amino]but-2-enoate
CID 146141858
methyl (E)-4-[(3-benzyl-1-methylpyrazole-4-carbonyl)amino]but-2-enoate
CID 167903378
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
methyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-methylpyridine-3-carboxylate
CID 11356776
methyl (E)-4-[(4-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]but-2-enoate
CID 146141937
methyl (E)-4-[[4-(2-hydroxyethoxy)benzoyl]amino]but-2-enoate
CID 146099757
methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate
CID 146141885

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate?
The IUPAC name of methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate (CID 146141917) is methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate.
What is the SMILES notation for methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate?
The canonical SMILES for methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate is CCOc1nc(C)ccc1C(=O)NC/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate?
The InChIKey is IVIBCCPUSXANKT-AATRIKPKSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-20-14-11(8-7-10(2)16-14)13(18)15-9-5-6-12(17)19-3/h5-8H,4,9H2,1-3H3,(H,15,18)/b6-5+.
What are the key properties of methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate?
methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate has a molecular weight of 278.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[(2-ethoxy-6-methylpyridine-3-carbonyl)amino]but-2-enoate is sourced from PubChem (CID 146141917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).