methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate

C15H20N2O4 — CID 146141885

IUPACmethyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)c1ccc(OC(C)(C)C)cn1
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-11-7-8-12(17-10-11)14(19)16-9-5-6-13(18)20-4/h5-8,10H,9H2,1-4H3,(H,16,19)/b6-5+
InChIKeyLZYZIVWHHVQNTR-AATRIKPKSA-N
MW292.34 g/mol
LogP1.72
Rot. Bonds5

About methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate

methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate (PubChem CID 146141885) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate
PubChem CID146141885
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)c1ccc(OC(C)(C)C)cn1
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-11-7-8-12(17-10-11)14(19)16-9-5-6-13(18)20-4/h5-8,10H,9H2,1-4H3,(H,16,19)/b6-5+
InChIKeyLZYZIVWHHVQNTR-AATRIKPKSA-N
XLogP1.72
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate?
The IUPAC name of methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate (CID 146141885) is methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate.
What is the SMILES notation for methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate?
The canonical SMILES for methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate is COC(=O)/C=C/CNC(=O)c1ccc(OC(C)(C)C)cn1.
What is the InChIKey of methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate?
The InChIKey is LZYZIVWHHVQNTR-AATRIKPKSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,3)21-11-7-8-12(17-10-11)14(19)16-9-5-6-13(18)20-4/h5-8,10H,9H2,1-4H3,(H,16,19)/b6-5+.
What are the key properties of methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate?
methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate has a molecular weight of 292.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[[5-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonyl]amino]but-2-enoate is sourced from PubChem (CID 146141885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).