(1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one

C16H16N2O — CID 88966146

IUPAC(1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one
SMILESC=C/C=C\C(\C=C\C(=O)/C=C/c1cccnc1)=C/N
InChIInChI=1S/C16H16N2O/c1-2-3-5-14(12-17)7-9-16(19)10-8-15-6-4-11-18-13-15/h2-13H,1,17H2/b5-3-,9-7+,10-8+,14-12+
InChIKeyXBBZBAXDJRYCGB-SVYNWSDJSA-N
MW252.32 g/mol
LogP2.80
Rot. Bonds6

About (1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one

(1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one (PubChem CID 88966146) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one.

Molecular Properties

Compound Name(1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one
PubChem CID88966146
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one
SMILESC=C/C=C\C(\C=C\C(=O)/C=C/c1cccnc1)=C/N
InChIInChI=1S/C16H16N2O/c1-2-3-5-14(12-17)7-9-16(19)10-8-15-6-4-11-18-13-15/h2-13H,1,17H2/b5-3-,9-7+,10-8+,14-12+
InChIKeyXBBZBAXDJRYCGB-SVYNWSDJSA-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,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one with MolForge

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Related Compounds

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CID 88966080
methanethiol;(E)-3-pyridin-3-ylprop-2-enamide
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sodium (E)-3-pyridin-3-ylprop-2-enoate
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(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
CID 19558824
(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
(E)-2,4-dioxo-6-pyridin-3-yl-3-[(E)-3-pyridin-3-ylprop-2-enoyl]hex-5-enal
CID 126510675

Frequently Asked Questions

What is the IUPAC name of (1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one?
The IUPAC name of (1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one (CID 88966146) is (1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one.
What is the SMILES notation for (1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one?
The canonical SMILES for (1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one is C=C/C=C\C(\C=C\C(=O)/C=C/c1cccnc1)=C/N.
What is the InChIKey of (1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one?
The InChIKey is XBBZBAXDJRYCGB-SVYNWSDJSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-3-5-14(12-17)7-9-16(19)10-8-15-6-4-11-18-13-15/h2-13H,1,17H2/b5-3-,9-7+,10-8+,14-12+.
What are the key properties of (1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one?
(1E,4E,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-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,6E,7Z)-6-(aminomethylidene)-1-pyridin-3-yldeca-1,4,7,9-tetraen-3-one is sourced from PubChem (CID 88966146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).