methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate

C11H14N2O2 — CID 103251209

IUPACmethyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate
SMILESCOC(=O)/C=C/NCc1ncccc1C
InChIInChI=1S/C11H14N2O2/c1-9-4-3-6-13-10(9)8-12-7-5-11(14)15-2/h3-7,12H,8H2,1-2H3/b7-5+
InChIKeyIOYZOIXWNCPHNI-FNORWQNLSA-N
MW206.25 g/mol
LogP1.17
Rot. Bonds4

About methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate

methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate (PubChem CID 103251209) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate
PubChem CID103251209
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate
SMILESCOC(=O)/C=C/NCc1ncccc1C
InChIInChI=1S/C11H14N2O2/c1-9-4-3-6-13-10(9)8-12-7-5-11(14)15-2/h3-7,12H,8H2,1-2H3/b7-5+
InChIKeyIOYZOIXWNCPHNI-FNORWQNLSA-N
XLogP1.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.17
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

methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate
CID 79397097
methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate
CID 106487890
methyl 2-bromo-3-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 103251194
2-hydroxy-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309154
2-amino-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63304829
(E)-3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 56826676
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
CID 63373657
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate (CID 103251209) is methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate is COC(=O)/C=C/NCc1ncccc1C.
What is the InChIKey of methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate?
The InChIKey is IOYZOIXWNCPHNI-FNORWQNLSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9-4-3-6-13-10(9)8-12-7-5-11(14)15-2/h3-7,12H,8H2,1-2H3/b7-5+.
What are the key properties of methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate?
methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate has a molecular weight of 206.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(3-methyl-2-pyridinyl)methylamino]prop-2-enoate is sourced from PubChem (CID 103251209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).