2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide

C15H15Cl2N3O — CID 106993306

IUPAC2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)9-10-3-5-11(6-4-10)18-15(21)12-7-8-13(16)19-14(12)17/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyYINUEIZSQFZOEZ-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.70
Rot. Bonds4

About 2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide

2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 106993306) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID106993306
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)9-10-3-5-11(6-4-10)18-15(21)12-7-8-13(16)19-14(12)17/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyYINUEIZSQFZOEZ-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 106993313
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 103754203
4-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-fluorobenzamide
CID 107794020
2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
CID 21325138
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 80973223
N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
CID 31416592
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 86846798
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794096

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide (CID 106993306) is 2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide is CN(C)Cc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is YINUEIZSQFZOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-20(2)9-10-3-5-11(6-4-10)18-15(21)12-7-8-13(16)19-14(12)17/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of 2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 106993306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).