2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide

C14H12Cl2N2O — CID 60628317

IUPAC2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cccnc1Cl
InChIInChI=1S/C14H12Cl2N2O/c1-18(9-10-5-2-3-7-12(10)15)14(19)11-6-4-8-17-13(11)16/h2-8H,9H2,1H3
InChIKeyCRXXSDOESOHQAD-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.66
Rot. Bonds3

About 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide

2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 60628317) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID60628317
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1cccnc1Cl
InChIInChI=1S/C14H12Cl2N2O/c1-18(9-10-5-2-3-7-12(10)15)14(19)11-6-4-8-17-13(11)16/h2-8H,9H2,1H3
InChIKeyCRXXSDOESOHQAD-UHFFFAOYSA-N
XLogP3.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.66
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

2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389751
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 34735177
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61117952
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859
N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide
CID 39914084
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285
N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 78768535

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide (CID 60628317) is 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1Cl)C(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is CRXXSDOESOHQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-18(9-10-5-2-3-7-12(10)15)14(19)11-6-4-8-17-13(11)16/h2-8H,9H2,1H3.
What are the key properties of 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide?
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 295.17 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 60628317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).