3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine

C16H13BrN2 — CID 58028170

IUPAC3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine
SMILESCc1cnc(Nc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C16H13BrN2/c1-11-9-14(17)16(18-10-11)19-15-8-4-6-12-5-2-3-7-13(12)15/h2-10H,1H3,(H,18,19)
InChIKeyBCKFMYVLGFSQCA-UHFFFAOYSA-N
MW313.20 g/mol
LogP5.05
Rot. Bonds2

About 3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine

3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine (PubChem CID 58028170) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine
PubChem CID58028170
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine
SMILESCc1cnc(Nc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C16H13BrN2/c1-11-9-14(17)16(18-10-11)19-15-8-4-6-12-5-2-3-7-13(12)15/h2-10H,1H3,(H,18,19)
InChIKeyBCKFMYVLGFSQCA-UHFFFAOYSA-N
XLogP5.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.20
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

PETT deriv. 6
CID 492697
3-[1-(4-Bromophenyl)ethyl]-1-isoquinolin-5-ylurea
CID 10384501
4-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine Hydrochloride
CID 2947134
N-phenylisoquinolin-1-amine
CID 613037
N-(3-bromophenyl)isoquinolin-1-amine
CID 4321095
ST50182375
CID 1187421
1-(4-Amino-butyl)-3-{3-[(5-bromo-pyridin-2-yl)-naphthalen-1-ylmethyl-amino]-propyl}-thiourea
CID 10601454
5-(dimethylamino)-N-(5-bromo-3-methyl-2-pyridyl)-1-naphthalenesulphonamide
CID 10645779
7-bromo-N-(3-bromophenyl)isoquinolin-1-amine
CID 46879685
1-(3-Methyl-pyridin-2-yl)-3-naphthalen-1-yl-urea
CID 832770
5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 975433
5-bromo-N-[4-(diethylamino)benzyl]-2-pyridinamine
CID 975753

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine (CID 58028170) is 3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine is Cc1cnc(Nc2cccc3ccccc23)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine?
The InChIKey is BCKFMYVLGFSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c1-11-9-14(17)16(18-10-11)19-15-8-4-6-12-5-2-3-7-13(12)15/h2-10H,1H3,(H,18,19).
What are the key properties of 3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine?
3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine has a molecular weight of 313.20 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine is sourced from PubChem (CID 58028170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).