(2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid

C15H20N2O2 — CID 144955706

IUPAC(2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid
SMILESCC/C=C(C)/C=C(/C(=O)O)N(C)c1ccc(C)cn1
InChIInChI=1S/C15H20N2O2/c1-5-6-11(2)9-13(15(18)19)17(4)14-8-7-12(3)10-16-14/h6-10H,5H2,1-4H3,(H,18,19)/b11-6+,13-9-
InChIKeyYPYVEWTYSHIXBS-JODYEUIASA-N
MW260.34 g/mol
LogP3.15
Rot. Bonds5

About (2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid

(2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid (PubChem CID 144955706) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid
PubChem CID144955706
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid
SMILESCC/C=C(C)/C=C(/C(=O)O)N(C)c1ccc(C)cn1
InChIInChI=1S/C15H20N2O2/c1-5-6-11(2)9-13(15(18)19)17(4)14-8-7-12(3)10-16-14/h6-10H,5H2,1-4H3,(H,18,19)/b11-6+,13-9-
InChIKeyYPYVEWTYSHIXBS-JODYEUIASA-N
XLogP3.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid 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 (2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid (CID 144955706) is (2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid is CC/C=C(C)/C=C(/C(=O)O)N(C)c1ccc(C)cn1.
What is the InChIKey of (2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid?
The InChIKey is YPYVEWTYSHIXBS-JODYEUIASA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-6-11(2)9-13(15(18)19)17(4)14-8-7-12(3)10-16-14/h6-10H,5H2,1-4H3,(H,18,19)/b11-6+,13-9-.
What are the key properties of (2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid?
(2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid has a molecular weight of 260.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-methyl-2-[methyl-(5-methyl-2-pyridinyl)amino]hepta-2,4-dienoic acid is sourced from PubChem (CID 144955706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).