5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine

C17H14BrN3O — CID 166033655

IUPAC5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine
SMILESBrc1cc(Nc2ccncc2)cnc1OCc1ccccc1
InChIInChI=1S/C17H14BrN3O/c18-16-10-15(21-14-6-8-19-9-7-14)11-20-17(16)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,21)
InChIKeyXPGRKQHLDVZEFO-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.56
Rot. Bonds5

About 5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine

5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine (PubChem CID 166033655) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine
PubChem CID166033655
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine
SMILESBrc1cc(Nc2ccncc2)cnc1OCc1ccccc1
InChIInChI=1S/C17H14BrN3O/c18-16-10-15(21-14-6-8-19-9-7-14)11-20-17(16)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,21)
InChIKeyXPGRKQHLDVZEFO-UHFFFAOYSA-N
XLogP4.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-diphenyl-6-phenylmethoxypyridin-3-amine
CID 156717178
5-(2,4-difluorophenyl)-N-phenyl-6-phenylmethoxypyridin-3-amine
CID 166033651
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302
8-bromo-6-phenylmethoxyisoquinoline
CID 67402699
8-bromo-5-phenylmethoxyisoquinoline
CID 69449029
5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566029
6,7-bis(phenylmethoxy)isoquinoline
CID 14151864
7-bromo-1-phenylmethoxyisoquinoline
CID 86710700
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine
CID 19802663
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
N-phenyl-4-[2-(pyridin-4-ylmethoxy)phenyl]-1,3,5-triazin-2-amine
CID 141438953

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine?
The IUPAC name of 5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine (CID 166033655) is 5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine is Brc1cc(Nc2ccncc2)cnc1OCc1ccccc1.
What is the InChIKey of 5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine?
The InChIKey is XPGRKQHLDVZEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-16-10-15(21-14-6-8-19-9-7-14)11-20-17(16)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,21).
What are the key properties of 5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine?
5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine has a molecular weight of 356.22 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-phenylmethoxy-N-pyridin-4-ylpyridin-3-amine is sourced from PubChem (CID 166033655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).