2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide

C26H25Cl3N4O — CID 59511644

IUPAC2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Cl)c1)c1ccc(Cl)cc1N1CCN(C/C=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H25Cl3N4O/c1-31(26(34)20-10-11-30-25(29)17-20)23-9-8-22(28)18-24(23)33-15-13-32(14-16-33)12-2-3-19-4-6-21(27)7-5-19/h2-11,17-18H,12-16H2,1H3/b3-2+
InChIKeyGLFTVPWDURQFCP-NSCUHMNNSA-N
MW515.87 g/mol
LogP6.15
Rot. Bonds6

About 2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide

2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide (PubChem CID 59511644) has the molecular formula C26H25Cl3N4O and a molecular weight of 515.87 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide
PubChem CID59511644
Molecular FormulaC26H25Cl3N4O
Molecular Weight515.87 g/mol
Exact Mass514.11
IUPAC Name2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Cl)c1)c1ccc(Cl)cc1N1CCN(C/C=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H25Cl3N4O/c1-31(26(34)20-10-11-30-25(29)17-20)23-9-8-22(28)18-24(23)33-15-13-32(14-16-33)12-2-3-19-4-6-21(27)7-5-19/h2-11,17-18H,12-16H2,1H3/b3-2+
InChIKeyGLFTVPWDURQFCP-NSCUHMNNSA-N
XLogP6.15
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.87
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide 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

4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide
CID 66854855
[5-chloro-1'-[3-(4-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-azepane]-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 76609022
2-chloro-N-[4-fluoro-2-[4-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]pyridine-4-carboxamide
CID 59511623
[1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-isocyanospiro[2H-indole-3,4'-piperidine]-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 58046566
1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-chloropyridine-4-carbonyl)spiro[2H-indole-3,4'-piperidine]-5-carbonitrile
CID 88587404
N-[3-(azetidin-3-yloxy)-6-chloropyridazin-4-yl]-2-chloropyridine-4-carboxamide;2-chloro-N-[6-chloro-3-[1-[3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxypyridazin-4-yl]pyridine-4-carboxamide
CID 173009375
N-[6-bromo-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]-5-fluoro-3-pyridinyl]-2-chloropyridine-4-carboxamide
CID 58201596
[3-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]pyrrolidin-3-yl]-5-fluoro-2,3-dihydroindol-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 11785245
2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide
CID 76593183
2-chloro-N-[4,5-dichloro-2-[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azetidin-3-yl]oxyphenyl]pyridine-4-carboxamide
CID 56640239
(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 53344855
N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline
CID 30981978

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide (CID 59511644) is 2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccnc(Cl)c1)c1ccc(Cl)cc1N1CCN(C/C=C/c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide?
The InChIKey is GLFTVPWDURQFCP-NSCUHMNNSA-N. The full InChI is InChI=1S/C26H25Cl3N4O/c1-31(26(34)20-10-11-30-25(29)17-20)23-9-8-22(28)18-24(23)33-15-13-32(14-16-33)12-2-3-19-4-6-21(27)7-5-19/h2-11,17-18H,12-16H2,1H3/b3-2+.
What are the key properties of 2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide?
2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide has a molecular weight of 515.87 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 59511644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).