(4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine

C13H16N2 — CID 143926546

IUPAC(4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine
SMILESC/C=C\C=c1\cc(N)nc\c1=C\C=C\C
InChIInChI=1S/C13H16N2/c1-3-5-7-11-9-13(14)15-10-12(11)8-6-4-2/h3-10H,14H2,1-2H3/b5-3-,6-4+,11-7-,12-8-
InChIKeyYMTINBSDZDLSDP-KLNMRASNSA-N
MW200.28 g/mol
LogP1.38
Rot. Bonds2

About (4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine

(4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine (PubChem CID 143926546) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine.

Molecular Properties

Compound Name(4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine
PubChem CID143926546
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine
SMILESC/C=C\C=c1\cc(N)nc\c1=C\C=C\C
InChIInChI=1S/C13H16N2/c1-3-5-7-11-9-13(14)15-10-12(11)8-6-4-2/h3-10H,14H2,1-2H3/b5-3-,6-4+,11-7-,12-8-
InChIKeyYMTINBSDZDLSDP-KLNMRASNSA-N
XLogP1.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine?
The IUPAC name of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine (CID 143926546) is (4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine.
What is the SMILES notation for (4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine?
The canonical SMILES for (4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine is C/C=C\C=c1\cc(N)nc\c1=C\C=C\C.
What is the InChIKey of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine?
The InChIKey is YMTINBSDZDLSDP-KLNMRASNSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-5-7-11-9-13(14)15-10-12(11)8-6-4-2/h3-10H,14H2,1-2H3/b5-3-,6-4+,11-7-,12-8-.
What are the key properties of (4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine?
(4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine has a molecular weight of 200.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine is sourced from PubChem (CID 143926546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).