(2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal

C12H14N2O2 — CID 166478905

IUPAC(2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal
SMILESCN/C(=C\C=C(/C=O)OC)c1ccccn1
InChIInChI=1S/C12H14N2O2/c1-13-11(7-6-10(9-15)16-2)12-5-3-4-8-14-12/h3-9,13H,1-2H3/b10-6+,11-7-
InChIKeyAITBKZRDVYPKEC-QZTBCQRESA-N
MW218.26 g/mol
LogP1.37
Rot. Bonds5

About (2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal

(2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal (PubChem CID 166478905) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal.

Molecular Properties

Compound Name(2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal
PubChem CID166478905
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal
SMILESCN/C(=C\C=C(/C=O)OC)c1ccccn1
InChIInChI=1S/C12H14N2O2/c1-13-11(7-6-10(9-15)16-2)12-5-3-4-8-14-12/h3-9,13H,1-2H3/b10-6+,11-7-
InChIKeyAITBKZRDVYPKEC-QZTBCQRESA-N
XLogP1.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide
CID 173273862
2-(methylamino)-3-pyridin-2-ylprop-2-enal
CID 173269525
(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
(Z)-N-(methylideneamino)-1-pyridin-2-ylprop-1-en-1-amine
CID 144731406
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
1-pyridin-2-ylethenylhydrazine
CID 170235415
methyl N-cyanopyridine-2-carboximidate
CID 10012189
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate
CID 11285903
N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide
CID 46556732

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal?
The IUPAC name of (2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal (CID 166478905) is (2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal.
What is the SMILES notation for (2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal?
The canonical SMILES for (2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal is CN/C(=C\C=C(/C=O)OC)c1ccccn1.
What is the InChIKey of (2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal?
The InChIKey is AITBKZRDVYPKEC-QZTBCQRESA-N. The full InChI is InChI=1S/C12H14N2O2/c1-13-11(7-6-10(9-15)16-2)12-5-3-4-8-14-12/h3-9,13H,1-2H3/b10-6+,11-7-.
What are the key properties of (2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal?
(2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal has a molecular weight of 218.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methoxy-5-(methylamino)-5-pyridin-2-ylpenta-2,4-dienal is sourced from PubChem (CID 166478905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).