N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine

C16H14ClN3 — CID 166233204

IUPACN-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine
SMILESClc1ccc(CCNc2ccnc3ccncc23)cc1
InChIInChI=1S/C16H14ClN3/c17-13-3-1-12(2-4-13)5-9-19-16-7-10-20-15-6-8-18-11-14(15)16/h1-4,6-8,10-11H,5,9H2,(H,19,20)
InChIKeyOEWQEVLIIAXOBM-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.94
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine

N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine (PubChem CID 166233204) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine
PubChem CID166233204
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine
SMILESClc1ccc(CCNc2ccnc3ccncc23)cc1
InChIInChI=1S/C16H14ClN3/c17-13-3-1-12(2-4-13)5-9-19-16-7-10-20-15-6-8-18-11-14(15)16/h1-4,6-8,10-11H,5,9H2,(H,19,20)
InChIKeyOEWQEVLIIAXOBM-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine (CID 166233204) is N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine is Clc1ccc(CCNc2ccnc3ccncc23)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine?
The InChIKey is OEWQEVLIIAXOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-13-3-1-12(2-4-13)5-9-19-16-7-10-20-15-6-8-18-11-14(15)16/h1-4,6-8,10-11H,5,9H2,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1,6-naphthyridin-4-amine is sourced from PubChem (CID 166233204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).