2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide

C15H13Cl3N2O — CID 114917750

IUPAC2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cc(Cl)ncc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3N2O/c1-2-13(9-3-5-10(16)6-4-9)20-15(21)11-7-14(18)19-8-12(11)17/h3-8,13H,2H2,1H3,(H,20,21)
InChIKeySMHOTHGDLQNEOO-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.92
Rot. Bonds4

About 2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide

2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide (PubChem CID 114917750) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide
PubChem CID114917750
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC Name2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cc(Cl)ncc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3N2O/c1-2-13(9-3-5-10(16)6-4-9)20-15(21)11-7-14(18)19-8-12(11)17/h3-8,13H,2H2,1H3,(H,20,21)
InChIKeySMHOTHGDLQNEOO-UHFFFAOYSA-N
XLogP4.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-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

N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
2,5-dichloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114918698
N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 81229401
N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
CID 55871607
2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 114918873
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
CID 132651752
N-[1-(4-bromophenyl)propyl]-4-chloropyridine-3-carboxamide
CID 81226484
2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide (CID 114917750) is 2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide is CCC(NC(=O)c1cc(Cl)ncc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide?
The InChIKey is SMHOTHGDLQNEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c1-2-13(9-3-5-10(16)6-4-9)20-15(21)11-7-14(18)19-8-12(11)17/h3-8,13H,2H2,1H3,(H,20,21).
What are the key properties of 2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide?
2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide has a molecular weight of 343.64 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 114917750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).