5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine

C18H16BrN3O — CID 133328409

IUPAC5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine
SMILESBrc1cncc(NCc2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C18H16BrN3O/c19-16-8-17(12-21-11-16)22-10-14-3-5-18(6-4-14)23-13-15-2-1-7-20-9-15/h1-9,11-12,22H,10,13H2
InChIKeyOWLZDYDADVGYDP-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.43
Rot. Bonds6

About 5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine

5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine (PubChem CID 133328409) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine
PubChem CID133328409
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine
SMILESBrc1cncc(NCc2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C18H16BrN3O/c19-16-8-17(12-21-11-16)22-10-14-3-5-18(6-4-14)23-13-15-2-1-7-20-9-15/h1-9,11-12,22H,10,13H2
InChIKeyOWLZDYDADVGYDP-UHFFFAOYSA-N
XLogP4.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine
CID 133318444
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
5-bromo-N-(pyrimidin-5-ylmethyl)pyridin-3-amine
CID 115770593
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 113454072
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
3-bromo-5-[(4-iodophenoxy)methyl]pyridine
CID 115582275

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine (CID 133328409) is 5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine is Brc1cncc(NCc2ccc(OCc3cccnc3)cc2)c1.
What is the InChIKey of 5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine?
The InChIKey is OWLZDYDADVGYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-16-8-17(12-21-11-16)22-10-14-3-5-18(6-4-14)23-13-15-2-1-7-20-9-15/h1-9,11-12,22H,10,13H2.
What are the key properties of 5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine?
5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine has a molecular weight of 370.25 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 133328409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).