1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C20H20FN3 — CID 110452390

IUPAC1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NC(c2ccncc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FN3/c1-24(2)19-9-7-18(8-10-19)23-20(16-11-13-22-14-12-16)15-3-5-17(21)6-4-15/h3-14,20,23H,1-2H3
InChIKeyULNAWTNIMXLWTK-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.49
Rot. Bonds5

About 1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 110452390) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID110452390
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NC(c2ccncc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FN3/c1-24(2)19-9-7-18(8-10-19)23-20(16-11-13-22-14-12-16)15-3-5-17(21)6-4-15/h3-14,20,23H,1-2H3
InChIKeyULNAWTNIMXLWTK-UHFFFAOYSA-N
XLogP4.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-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 1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 110452390) is 1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(NC(c2ccncc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is ULNAWTNIMXLWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-24(2)19-9-7-18(8-10-19)23-20(16-11-13-22-14-12-16)15-3-5-17(21)6-4-15/h3-14,20,23H,1-2H3.
What are the key properties of 1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 321.40 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 110452390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).