4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline

C14H14ClN3 — CID 10220810

IUPAC4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline
SMILESCC/C(=N\Nc1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C14H14ClN3/c1-2-14(11-7-9-16-10-8-11)18-17-13-5-3-12(15)4-6-13/h3-10,17H,2H2,1H3/b18-14+
InChIKeyXZKLCOMZIXLRKA-NBVRZTHBSA-N
MW259.74 g/mol
LogP3.96
Rot. Bonds4

About 4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline

4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline (PubChem CID 10220810) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline
PubChem CID10220810
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline
SMILESCC/C(=N\Nc1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C14H14ClN3/c1-2-14(11-7-9-16-10-8-11)18-17-13-5-3-12(15)4-6-13/h3-10,17H,2H2,1H3/b18-14+
InChIKeyXZKLCOMZIXLRKA-NBVRZTHBSA-N
XLogP3.96
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline (CID 10220810) is 4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline is CC/C(=N\Nc1ccc(Cl)cc1)c1ccncc1.
What is the InChIKey of 4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline?
The InChIKey is XZKLCOMZIXLRKA-NBVRZTHBSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-2-14(11-7-9-16-10-8-11)18-17-13-5-3-12(15)4-6-13/h3-10,17H,2H2,1H3/b18-14+.
What are the key properties of 4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline?
4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline has a molecular weight of 259.74 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline is sourced from PubChem (CID 10220810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).