6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide

C14H11Cl3N2O — CID 9417730

IUPAC6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H11Cl3N2O/c1-19(8-10-2-4-11(15)6-12(10)16)14(20)9-3-5-13(17)18-7-9/h2-7H,8H2,1H3
InChIKeyWQYCCQOIPXBJJY-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.31
Rot. Bonds3

About 6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide

6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 9417730) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID9417730
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H11Cl3N2O/c1-19(8-10-2-4-11(15)6-12(10)16)14(20)9-3-5-13(17)18-7-9/h2-7H,8H2,1H3
InChIKeyWQYCCQOIPXBJJY-UHFFFAOYSA-N
XLogP4.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
methyl 4-[[(6-chloropyridine-3-carbonyl)-methylamino]methyl]benzoate
CID 37417334
6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
6-chloro-N-(4-chlorophenyl)-N-methylpyridine-3-carboxamide
CID 18419490
6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 61381204
3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 60775674

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide (CID 9417730) is 6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is WQYCCQOIPXBJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-19(8-10-2-4-11(15)6-12(10)16)14(20)9-3-5-13(17)18-7-9/h2-7H,8H2,1H3.
What are the key properties of 6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide?
6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 329.61 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 9417730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).