2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide

C15H15Cl2N3O — CID 114917751

IUPAC2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2cc(Cl)ncc2Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)9-10-4-3-5-11(6-10)19-15(21)12-7-14(17)18-8-13(12)16/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyNOSXGAGPUHPBDF-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.70
Rot. Bonds4

About 2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide

2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide (PubChem CID 114917751) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide
PubChem CID114917751
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2cc(Cl)ncc2Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)9-10-4-3-5-11(6-10)19-15(21)12-7-14(17)18-8-13(12)16/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyNOSXGAGPUHPBDF-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

4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 81227089
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
2,5-dichloro-N-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917538
2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide
CID 167909819
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
N-[3-[(dimethylamino)methyl]phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860097
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
N-[3-[(dimethylamino)methyl]phenyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 166212160
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide (CID 114917751) is 2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide is CN(C)Cc1cccc(NC(=O)c2cc(Cl)ncc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is NOSXGAGPUHPBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-20(2)9-10-4-3-5-11(6-10)19-15(21)12-7-14(17)18-8-13(12)16/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide?
2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-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 2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 114917751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).