(1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one

C16H16N2O — CID 88966080

IUPAC(1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one
SMILESC=C/C=C(\C=C/N)/C=C/C(=O)/C=C/c1ccncc1
InChIInChI=1S/C16H16N2O/c1-2-3-14(8-11-17)4-6-16(19)7-5-15-9-12-18-13-10-15/h2-13H,1,17H2/b6-4+,7-5+,11-8-,14-3-
InChIKeyUZBDNPILKNCAJW-FHYLKTRHSA-N
MW252.32 g/mol
LogP2.80
Rot. Bonds6

About (1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one

(1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one (PubChem CID 88966080) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one.

Molecular Properties

Compound Name(1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one
PubChem CID88966080
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one
SMILESC=C/C=C(\C=C/N)/C=C/C(=O)/C=C/c1ccncc1
InChIInChI=1S/C16H16N2O/c1-2-3-14(8-11-17)4-6-16(19)7-5-15-9-12-18-13-10-15/h2-13H,1,17H2/b6-4+,7-5+,11-8-,14-3-
InChIKeyUZBDNPILKNCAJW-FHYLKTRHSA-N
XLogP2.80
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.80
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 (1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one with MolForge

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

Launch Full Analysis

Related Compounds

(1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one
CID 88966146
(E)-3-pyridin-4-ylprop-2-enehydrazide
CID 5473676
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
zinc bis((E)-3-pyridin-4-ylprop-2-enoate)
CID 101142220
(E)-4,4-dimethyl-1-pyridin-4-ylpent-1-en-3-one;hydrochloride
CID 6446395
(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
CID 5357476
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
CID 101358930
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846

Frequently Asked Questions

What is the IUPAC name of (1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one?
The IUPAC name of (1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one (CID 88966080) is (1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one.
What is the SMILES notation for (1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one?
The canonical SMILES for (1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one is C=C/C=C(\C=C/N)/C=C/C(=O)/C=C/c1ccncc1.
What is the InChIKey of (1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one?
The InChIKey is UZBDNPILKNCAJW-FHYLKTRHSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-3-14(8-11-17)4-6-16(19)7-5-15-9-12-18-13-10-15/h2-13H,1,17H2/b6-4+,7-5+,11-8-,14-3-.
What are the key properties of (1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one?
(1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one has a molecular weight of 252.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E,6Z)-6-[(Z)-2-aminoethenyl]-1-pyridin-4-ylnona-1,4,6,8-tetraen-3-one is sourced from PubChem (CID 88966080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).