2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide

C15H14Cl2N2O — CID 114918352

IUPAC2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cc(Cl)ncc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-9-4-10(2)6-11(5-9)19(3)15(20)12-7-14(17)18-8-13(12)16/h4-8H,1-3H3
InChIKeyFZURSJMZKQKTAH-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.28
Rot. Bonds2

About 2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide

2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide (PubChem CID 114918352) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide
PubChem CID114918352
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cc(Cl)ncc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-9-4-10(2)6-11(5-9)19(3)15(20)12-7-14(17)18-8-13(12)16/h4-8H,1-3H3
InChIKeyFZURSJMZKQKTAH-UHFFFAOYSA-N
XLogP4.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-(3,5-dimethylphenyl)-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-methyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934917
2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide
CID 114918456
2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917420
2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 114918020
1-(2,5-dichloro-4-pyridinyl)-3-(dimethylamino)prop-2-en-1-one
CID 86070527
2-amino-N-(3,5-dimethylphenyl)-N-methylpyridine-3-carboxamide
CID 62161798
2,5-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114918306
2,5-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114917417
2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 114917924
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917935
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385601

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide (CID 114918352) is 2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide is Cc1cc(C)cc(N(C)C(=O)c2cc(Cl)ncc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide?
The InChIKey is FZURSJMZKQKTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-4-10(2)6-11(5-9)19(3)15(20)12-7-14(17)18-8-13(12)16/h4-8H,1-3H3.
What are the key properties of 2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide?
2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 114918352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).