N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine

C22H17BrN2 — CID 126751930

IUPACN-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine
SMILESBrc1ccc(CNc2cc(-c3ccc4ccccc4c3)ccn2)cc1
InChIInChI=1S/C22H17BrN2/c23-21-9-5-16(6-10-21)15-25-22-14-20(11-12-24-22)19-8-7-17-3-1-2-4-18(17)13-19/h1-14H,15H2,(H,24,25)
InChIKeyVLCWWCSDVFKUBL-UHFFFAOYSA-N
MW389.30 g/mol
LogP6.28
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine

N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine (PubChem CID 126751930) has the molecular formula C22H17BrN2 and a molecular weight of 389.30 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine
PubChem CID126751930
Molecular FormulaC22H17BrN2
Molecular Weight389.30 g/mol
Exact Mass388.06
IUPAC NameN-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine
SMILESBrc1ccc(CNc2cc(-c3ccc4ccccc4c3)ccn2)cc1
InChIInChI=1S/C22H17BrN2/c23-21-9-5-16(6-10-21)15-25-22-14-20(11-12-24-22)19-8-7-17-3-1-2-4-18(17)13-19/h1-14H,15H2,(H,24,25)
InChIKeyVLCWWCSDVFKUBL-UHFFFAOYSA-N
XLogP6.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.30
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine (CID 126751930) is N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine is Brc1ccc(CNc2cc(-c3ccc4ccccc4c3)ccn2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine?
The InChIKey is VLCWWCSDVFKUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2/c23-21-9-5-16(6-10-21)15-25-22-14-20(11-12-24-22)19-8-7-17-3-1-2-4-18(17)13-19/h1-14H,15H2,(H,24,25).
What are the key properties of N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine?
N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine has a molecular weight of 389.30 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-naphthalen-2-ylpyridin-2-amine is sourced from PubChem (CID 126751930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).