N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide

C15H16BrN3O2 — CID 115937980

IUPACN-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NCc2cccc(Br)n2)cc1
InChIInChI=1S/C15H16BrN3O2/c1-21-10-15(20)19-12-7-5-11(6-8-12)17-9-13-3-2-4-14(16)18-13/h2-8,17H,9-10H2,1H3,(H,19,20)
InChIKeyGVPYPKGACSCKSM-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.04
Rot. Bonds6

About N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide

N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide (PubChem CID 115937980) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide
PubChem CID115937980
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NCc2cccc(Br)n2)cc1
InChIInChI=1S/C15H16BrN3O2/c1-21-10-15(20)19-12-7-5-11(6-8-12)17-9-13-3-2-4-14(16)18-13/h2-8,17H,9-10H2,1H3,(H,19,20)
InChIKeyGVPYPKGACSCKSM-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide
CID 112581693
propyl 4-[(6-bromo-2-pyridinyl)methylamino]benzoate
CID 115937833
methyl 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzoate
CID 115937972
N-[(6-bromo-2-pyridinyl)methyl]-4-iodoaniline
CID 112581894
2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62760279
N-[4-[(4-hydroxyphenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717389
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
CID 62748713
N-[(6-bromo-2-pyridinyl)methyl]-4-(difluoromethoxy)aniline
CID 112581806
N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43713051
N-[(6-bromo-2-pyridinyl)methyl]-3-chloro-4-methoxyaniline
CID 112581707
2-methoxy-N-[4-[(2-methylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 43717460

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide (CID 115937980) is N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(NCc2cccc(Br)n2)cc1.
What is the InChIKey of N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide?
The InChIKey is GVPYPKGACSCKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-21-10-15(20)19-12-7-5-11(6-8-12)17-9-13-3-2-4-14(16)18-13/h2-8,17H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide?
N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide has a molecular weight of 350.22 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 115937980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).