3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine

C22H27Cl2N5 — CID 5330145

IUPAC3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine
SMILESCCN(CC)CCCCNc1cc2nc(N)c(-c3c(Cl)cccc3Cl)cc2cn1
InChIInChI=1S/C22H27Cl2N5/c1-3-29(4-2)11-6-5-10-26-20-13-19-15(14-27-20)12-16(22(25)28-19)21-17(23)8-7-9-18(21)24/h7-9,12-14H,3-6,10-11H2,1-2H3,(H2,25,28)(H,26,27)
InChIKeyHNGPDEJIWHVMBL-UHFFFAOYSA-N
MW432.40 g/mol
LogP5.72
Rot. Bonds9

About 3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine

3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine (PubChem CID 5330145) has the molecular formula C22H27Cl2N5 and a molecular weight of 432.40 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine
PubChem CID5330145
Molecular FormulaC22H27Cl2N5
Molecular Weight432.40 g/mol
Exact Mass431.16
IUPAC Name3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine
SMILESCCN(CC)CCCCNc1cc2nc(N)c(-c3c(Cl)cccc3Cl)cc2cn1
InChIInChI=1S/C22H27Cl2N5/c1-3-29(4-2)11-6-5-10-26-20-13-19-15(14-27-20)12-16(22(25)28-19)21-17(23)8-7-9-18(21)24/h7-9,12-14H,3-6,10-11H2,1-2H3,(H2,25,28)(H,26,27)
InChIKeyHNGPDEJIWHVMBL-UHFFFAOYSA-N
XLogP5.72
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine (CID 5330145) is 3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine is CCN(CC)CCCCNc1cc2nc(N)c(-c3c(Cl)cccc3Cl)cc2cn1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine?
The InChIKey is HNGPDEJIWHVMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N5/c1-3-29(4-2)11-6-5-10-26-20-13-19-15(14-27-20)12-16(22(25)28-19)21-17(23)8-7-9-18(21)24/h7-9,12-14H,3-6,10-11H2,1-2H3,(H2,25,28)(H,26,27).
What are the key properties of 3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine?
3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine has a molecular weight of 432.40 g/mol, XLogP of 5.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine is sourced from PubChem (CID 5330145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).