6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide

C15H16BrN3O — CID 66464873

IUPAC6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H16BrN3O/c1-19(2)10-12-5-3-4-6-13(12)18-15(20)11-7-8-14(16)17-9-11/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyRBQZHKLBUHIDNU-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.16
Rot. Bonds4

About 6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide

6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 66464873) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID66464873
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H16BrN3O/c1-19(2)10-12-5-3-4-6-13(12)18-15(20)11-7-8-14(16)17-9-11/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyRBQZHKLBUHIDNU-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.16
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

6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 66462324
N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38436444
3-amino-4-bromo-N-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 107812862
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 66462709
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide
CID 89461171
2-N,6-N-bis[2-[(dimethylamino)methyl]phenyl]pyridine-2,6-dicarboxamide
CID 38435626
N-[2-[(dimethylamino)methyl]phenyl]-3-hydroxybenzamide
CID 110472375
N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 31969058
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide (CID 66464873) is 6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide is CN(C)Cc1ccccc1NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is RBQZHKLBUHIDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(2)10-12-5-3-4-6-13(12)18-15(20)11-7-8-14(16)17-9-11/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66464873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).