3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine

C12H13N3 — CID 144573058

IUPAC3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine
SMILESC=C/C=C(C=C)/C=N/c1cnccc1N
InChIInChI=1S/C12H13N3/c1-3-5-10(4-2)8-15-12-9-14-7-6-11(12)13/h3-9H,1-2H2,(H2,13,14)/b10-5+,15-8+
InChIKeyDSINCDHYVNAFLR-HUNITLMZSA-N
MW199.26 g/mol
LogP2.66
Rot. Bonds4

About 3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine

3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine (PubChem CID 144573058) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine.

Molecular Properties

Compound Name3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine
PubChem CID144573058
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine
SMILESC=C/C=C(C=C)/C=N/c1cnccc1N
InChIInChI=1S/C12H13N3/c1-3-5-10(4-2)8-15-12-9-14-7-6-11(12)13/h3-9H,1-2H2,(H2,13,14)/b10-5+,15-8+
InChIKeyDSINCDHYVNAFLR-HUNITLMZSA-N
XLogP2.66
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine?
The IUPAC name of 3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine (CID 144573058) is 3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine.
What is the SMILES notation for 3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine?
The canonical SMILES for 3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine is C=C/C=C(C=C)/C=N/c1cnccc1N.
What is the InChIKey of 3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine?
The InChIKey is DSINCDHYVNAFLR-HUNITLMZSA-N. The full InChI is InChI=1S/C12H13N3/c1-3-5-10(4-2)8-15-12-9-14-7-6-11(12)13/h3-9H,1-2H2,(H2,13,14)/b10-5+,15-8+.
What are the key properties of 3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine?
3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine has a molecular weight of 199.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine is sourced from PubChem (CID 144573058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).