N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine

C20H23FN4 — CID 143600390

IUPACN-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine
SMILESCCNCCCCNc1cc2cccnc2c(-c2cccc(F)c2)n1
InChIInChI=1S/C20H23FN4/c1-2-22-10-3-4-11-23-18-14-16-8-6-12-24-19(16)20(25-18)15-7-5-9-17(21)13-15/h5-9,12-14,22H,2-4,10-11H2,1H3,(H,23,25)
InChIKeyHADWBHGKQLUJTI-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.24
Rot. Bonds8

About N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine

N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine (PubChem CID 143600390) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine
PubChem CID143600390
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC NameN-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine
SMILESCCNCCCCNc1cc2cccnc2c(-c2cccc(F)c2)n1
InChIInChI=1S/C20H23FN4/c1-2-22-10-3-4-11-23-18-14-16-8-6-12-24-19(16)20(25-18)15-7-5-9-17(21)13-15/h5-9,12-14,22H,2-4,10-11H2,1H3,(H,23,25)
InChIKeyHADWBHGKQLUJTI-UHFFFAOYSA-N
XLogP4.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-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 N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine?
The IUPAC name of N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine (CID 143600390) is N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine.
What is the SMILES notation for N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine?
The canonical SMILES for N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine is CCNCCCCNc1cc2cccnc2c(-c2cccc(F)c2)n1.
What is the InChIKey of N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine?
The InChIKey is HADWBHGKQLUJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c1-2-22-10-3-4-11-23-18-14-16-8-6-12-24-19(16)20(25-18)15-7-5-9-17(21)13-15/h5-9,12-14,22H,2-4,10-11H2,1H3,(H,23,25).
What are the key properties of N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine?
N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine has a molecular weight of 338.43 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl]butane-1,4-diamine is sourced from PubChem (CID 143600390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).