(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine

C14H14N4 — CID 5405316

IUPAC(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
SMILESC/C(=N\N=C(/C)c1cccnc1)c1cccnc1
InChIInChI=1S/C14H14N4/c1-11(13-5-3-7-15-9-13)17-18-12(2)14-6-4-8-16-10-14/h3-10H,1-2H3/b17-11+,18-12+
InChIKeyAUVSPPFSWHBKLQ-JYFOCSDGSA-N
MW238.29 g/mol
LogP2.71
Rot. Bonds3

About (E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine

(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine (PubChem CID 5405316) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is (E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine.

Molecular Properties

Compound Name(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
PubChem CID5405316
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
SMILESC/C(=N\N=C(/C)c1cccnc1)c1cccnc1
InChIInChI=1S/C14H14N4/c1-11(13-5-3-7-15-9-13)17-18-12(2)14-6-4-8-16-10-14/h3-10H,1-2H3/b17-11+,18-12+
InChIKeyAUVSPPFSWHBKLQ-JYFOCSDGSA-N
XLogP2.71
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[N-acetyl-N'-[(E)-1-pyridin-3-ylethylideneamino]carbamimidoyl]acetamide
CID 135813165
(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
CID 6524389
(Z)-N-[(Z)-1-pyridin-3-ylethylideneamino]fluoren-9-imine
CID 8980425
N'-(1-pyridin-3-ylethylideneamino)pyrazine-2-carboximidamide
CID 3442008
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
1-pyridin-3-ylethanethione
CID 11815891
N-(3,5-dimethylphenyl)-1-pyridin-3-ylethanimine
CID 90830310
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
(E)-2-methyl-3-(1-pyridin-3-ylethylideneamino)but-2-enoic acid
CID 134228820

Frequently Asked Questions

What is the IUPAC name of (E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine?
The IUPAC name of (E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine (CID 5405316) is (E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine.
What is the SMILES notation for (E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine?
The canonical SMILES for (E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine is C/C(=N\N=C(/C)c1cccnc1)c1cccnc1.
What is the InChIKey of (E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine?
The InChIKey is AUVSPPFSWHBKLQ-JYFOCSDGSA-N. The full InChI is InChI=1S/C14H14N4/c1-11(13-5-3-7-15-9-13)17-18-12(2)14-6-4-8-16-10-14/h3-10H,1-2H3/b17-11+,18-12+.
What are the key properties of (E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine?
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine has a molecular weight of 238.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine is sourced from PubChem (CID 5405316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).