2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine

C24H28N10 — CID 11979937

IUPAC2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine
SMILESCC(=N/N=C(C)\C(C)=N/N=C/c1ccccn1)/C(C)=N\N=C(C)/C(C)=N/N=C/c1ccccn1
InChIInChI=1S/C24H28N10/c1-17(29-27-15-23-11-7-9-13-25-23)19(3)31-33-21(5)22(6)34-32-20(4)18(2)30-28-16-24-12-8-10-14-26-24/h7-16H,1-6H3/b27-15+,28-16+,29-17-,30-18+,31-19-,32-20-,33-21-,34-22-
InChIKeyDBXFSIOIXQXIQP-AXQGBZQYSA-N
MW456.56 g/mol
LogP4.44
Rot. Bonds9

About 2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine

2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine (PubChem CID 11979937) has the molecular formula C24H28N10 and a molecular weight of 456.56 g/mol. Its IUPAC name is 2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine.

Molecular Properties

Compound Name2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine
PubChem CID11979937
Molecular FormulaC24H28N10
Molecular Weight456.56 g/mol
Exact Mass456.25
IUPAC Name2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine
SMILESCC(=N/N=C(C)\C(C)=N/N=C/c1ccccn1)/C(C)=N\N=C(C)/C(C)=N/N=C/c1ccccn1
InChIInChI=1S/C24H28N10/c1-17(29-27-15-23-11-7-9-13-25-23)19(3)31-33-21(5)22(6)34-32-20(4)18(2)30-28-16-24-12-8-10-14-26-24/h7-16H,1-6H3/b27-15+,28-16+,29-17-,30-18+,31-19-,32-20-,33-21-,34-22-
InChIKeyDBXFSIOIXQXIQP-AXQGBZQYSA-N
XLogP4.44
TPSA124.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine with MolForge

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Related Compounds

N'-[(E)-pyridin-2-ylmethylideneamino]carbamimidoselenoate
CID 54577616
bis((E)-methylsulfanyl-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-sulfidomethane);nickel(2+)
CID 42616478
1,2-bis(pyridin-2-ylmethylideneamino)guanidine
CID 53440400
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
chloroplatinum(1+);(NE,1Z)-N-(pyridin-2-ylmethylidene)azepane-1-carbohydrazonothioate
CID 42597313
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine
CID 141131461
1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
CID 177312933
3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol
CID 139291560
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine?
The IUPAC name of 2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine (CID 11979937) is 2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine.
What is the SMILES notation for 2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine?
The canonical SMILES for 2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine is CC(=N/N=C(C)\C(C)=N/N=C/c1ccccn1)/C(C)=N\N=C(C)/C(C)=N/N=C/c1ccccn1.
What is the InChIKey of 2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine?
The InChIKey is DBXFSIOIXQXIQP-AXQGBZQYSA-N. The full InChI is InChI=1S/C24H28N10/c1-17(29-27-15-23-11-7-9-13-25-23)19(3)31-33-21(5)22(6)34-32-20(4)18(2)30-28-16-24-12-8-10-14-26-24/h7-16H,1-6H3/b27-15+,28-16+,29-17-,30-18+,31-19-,32-20-,33-21-,34-22-.
What are the key properties of 2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine?
2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine has a molecular weight of 456.56 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine is sourced from PubChem (CID 11979937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).