4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline

C16H16ClN3 — CID 134095785

IUPAC4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C=N/c2ncccc2Cl)cc1
InChIInChI=1S/C16H16ClN3/c1-20(2)14-9-7-13(8-10-14)5-3-11-18-16-15(17)6-4-12-19-16/h3-12H,1-2H3/b5-3+,18-11+
InChIKeyUEKQKUGBBMDTCJ-DXVNTNFESA-N
MW285.78 g/mol
LogP4.22
Rot. Bonds4

About 4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline

4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline (PubChem CID 134095785) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline
PubChem CID134095785
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C=N/c2ncccc2Cl)cc1
InChIInChI=1S/C16H16ClN3/c1-20(2)14-9-7-13(8-10-14)5-3-11-18-16-15(17)6-4-12-19-16/h3-12H,1-2H3/b5-3+,18-11+
InChIKeyUEKQKUGBBMDTCJ-DXVNTNFESA-N
XLogP4.22
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline (CID 134095785) is 4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/C=N/c2ncccc2Cl)cc1.
What is the InChIKey of 4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline?
The InChIKey is UEKQKUGBBMDTCJ-DXVNTNFESA-N. The full InChI is InChI=1S/C16H16ClN3/c1-20(2)14-9-7-13(8-10-14)5-3-11-18-16-15(17)6-4-12-19-16/h3-12H,1-2H3/b5-3+,18-11+.
What are the key properties of 4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline?
4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline has a molecular weight of 285.78 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 134095785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).