N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide

C16H18BrN3O — CID 115937822

IUPACN-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCc2cccc(Br)n2)c1
InChIInChI=1S/C16H18BrN3O/c1-11(18-10-15-7-4-8-16(17)20-15)13-5-3-6-14(9-13)19-12(2)21/h3-9,11,18H,10H2,1-2H3,(H,19,21)
InChIKeyJQRVVKVJEGAPCV-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.65
Rot. Bonds5

About N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide

N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide (PubChem CID 115937822) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
PubChem CID115937822
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCc2cccc(Br)n2)c1
InChIInChI=1S/C16H18BrN3O/c1-11(18-10-15-7-4-8-16(17)20-15)13-5-3-6-14(9-13)19-12(2)21/h3-9,11,18H,10H2,1-2H3,(H,19,21)
InChIKeyJQRVVKVJEGAPCV-UHFFFAOYSA-N
XLogP3.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 43210210
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 112582155
N-[3-[(1R)-1-[(4-methoxy-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
CID 99854055
N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide
CID 112581693
2-[(6-bromo-2-pyridinyl)methylamino]-N-methylpropanamide
CID 112582236
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[3-[1-(1H-1,2,4-triazol-5-ylmethylamino)ethyl]phenyl]acetamide
CID 54884735
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide
CID 115761611
N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 66170692
2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
CID 60979755
(Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid
CID 103240394

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide (CID 115937822) is N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCc2cccc(Br)n2)c1.
What is the InChIKey of N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide?
The InChIKey is JQRVVKVJEGAPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-11(18-10-15-7-4-8-16(17)20-15)13-5-3-6-14(9-13)19-12(2)21/h3-9,11,18H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide?
N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide has a molecular weight of 348.24 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 115937822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).