7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine

C15H17BrClN3 — CID 106365685

IUPAC7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
SMILESClCC1CCCCC1Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H17BrClN3/c16-11-7-14-15(19-9-11)13(5-6-18-14)20-12-4-2-1-3-10(12)8-17/h5-7,9-10,12H,1-4,8H2,(H,18,20)
InChIKeyFZKJTPKRJOPYNW-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.60
Rot. Bonds3

About 7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine

7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine (PubChem CID 106365685) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is 7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
PubChem CID106365685
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC Name7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
SMILESClCC1CCCCC1Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C15H17BrClN3/c16-11-7-14-15(19-9-11)13(5-6-18-14)20-12-4-2-1-3-10(12)8-17/h5-7,9-10,12H,1-4,8H2,(H,18,20)
InChIKeyFZKJTPKRJOPYNW-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-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

7-bromo-N-[2-(chloromethyl)cyclopentyl]-1,5-naphthyridin-4-amine
CID 106365510
trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine
CID 102738731
trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 99777938
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 91648836
7-bromo-N-(2-pyrazol-1-ylcyclohexyl)-1,5-naphthyridin-4-amine
CID 133483777
7-bromo-N-[(2-methylcyclopentyl)methyl]-1,5-naphthyridin-4-amine
CID 107419345
5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine
CID 106365408
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
CID 113394440
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide
CID 113394394
7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine
CID 133482136
4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one
CID 105023349

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine (CID 106365685) is 7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine is ClCC1CCCCC1Nc1ccnc2cc(Br)cnc12.
What is the InChIKey of 7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine?
The InChIKey is FZKJTPKRJOPYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c16-11-7-14-15(19-9-11)13(5-6-18-14)20-12-4-2-1-3-10(12)8-17/h5-7,9-10,12H,1-4,8H2,(H,18,20).
What are the key properties of 7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine has a molecular weight of 354.68 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 106365685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).