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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide
CID 139165605
N'-(3-chloro-2-pyridinyl)-N-hydroxymethanimidamide
CID 164852617
4-chloro-2-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]phenol
CID 166451731
N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide
CID 126025717
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
CID 102311282
N,N-dimethyl-4-[(E)-3-(1,2,4-triazol-4-ylimino)prop-1-enyl]aniline
CID 129440443
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3888608
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 4592443

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).