methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate

C14H22N2O2 — CID 155727655

IUPACmethyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate
SMILESC/C=C1/C=CC(C(C)(C)C(=O)OC)=CN1N(C)C
InChIInChI=1S/C14H22N2O2/c1-7-12-9-8-11(10-16(12)15(4)5)14(2,3)13(17)18-6/h7-10H,1-6H3/b12-7-
InChIKeyWQDAGHMFCLPQGX-GHXNOFRVSA-N
MW250.34 g/mol
LogP2.32
Rot. Bonds3

About methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate

methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate (PubChem CID 155727655) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate
PubChem CID155727655
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate
SMILESC/C=C1/C=CC(C(C)(C)C(=O)OC)=CN1N(C)C
InChIInChI=1S/C14H22N2O2/c1-7-12-9-8-11(10-16(12)15(4)5)14(2,3)13(17)18-6/h7-10H,1-6H3/b12-7-
InChIKeyWQDAGHMFCLPQGX-GHXNOFRVSA-N
XLogP2.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate?
The IUPAC name of methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate (CID 155727655) is methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate is C/C=C1/C=CC(C(C)(C)C(=O)OC)=CN1N(C)C.
What is the InChIKey of methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate?
The InChIKey is WQDAGHMFCLPQGX-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-7-12-9-8-11(10-16(12)15(4)5)14(2,3)13(17)18-6/h7-10H,1-6H3/b12-7-.
What are the key properties of methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate?
methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate has a molecular weight of 250.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6Z)-1-(dimethylamino)-6-ethylidene-3-pyridinyl]-2-methylpropanoate is sourced from PubChem (CID 155727655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).