6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide

C15H15BrFN3O — CID 78956191

IUPAC6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2cc(Br)ccc2F)nc1
InChIInChI=1S/C15H15BrFN3O/c1-20(2)15(21)10-3-6-14(18-8-10)19-9-11-7-12(16)4-5-13(11)17/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyUWJZBGGTWYLMOM-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.30
Rot. Bonds4

About 6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide

6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 78956191) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID78956191
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2cc(Br)ccc2F)nc1
InChIInChI=1S/C15H15BrFN3O/c1-20(2)15(21)10-3-6-14(18-8-10)19-9-11-7-12(16)4-5-13(11)17/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyUWJZBGGTWYLMOM-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956139
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
N-[(5-bromo-2-fluorophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107874557
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 114700898
6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 79098714
6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918042
N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
CID 103883730
N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide
CID 78956358
6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
4-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid
CID 43321686
N,N-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 78955998

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide (CID 78956191) is 6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCc2cc(Br)ccc2F)nc1.
What is the InChIKey of 6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is UWJZBGGTWYLMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-20(2)15(21)10-3-6-14(18-8-10)19-9-11-7-12(16)4-5-13(11)17/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 352.21 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 78956191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).