2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide

C14H9Cl2N3O — CID 114918456

IUPAC2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)ncc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C14H9Cl2N3O/c1-19(10-4-2-9(7-17)3-5-10)14(20)11-6-13(16)18-8-12(11)15/h2-6,8H,1H3
InChIKeyAGHPEXPHJPVRKX-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.54
Rot. Bonds2

About 2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide

2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide (PubChem CID 114918456) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide
PubChem CID114918456
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)ncc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C14H9Cl2N3O/c1-19(10-4-2-9(7-17)3-5-10)14(20)11-6-13(16)18-8-12(11)15/h2-6,8H,1H3
InChIKeyAGHPEXPHJPVRKX-UHFFFAOYSA-N
XLogP3.54
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-(4-cyanophenyl)-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

2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62982925
2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934917
2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide
CID 114918352
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981263
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N-(4-cyanophenyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107671429
N-(4-cyanophenyl)-N-methylpyrazine-2-carboxamide
CID 113242357
6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
CID 66463352
N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995
N-(4-cyanophenyl)-N-methylpyridazine-4-carboxamide
CID 104670312

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide (CID 114918456) is 2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1cc(Cl)ncc1Cl)c1ccc(C#N)cc1.
What is the InChIKey of 2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide?
The InChIKey is AGHPEXPHJPVRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c1-19(10-4-2-9(7-17)3-5-10)14(20)11-6-13(16)18-8-12(11)15/h2-6,8H,1H3.
What are the key properties of 2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide?
2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide has a molecular weight of 306.15 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 114918456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).