4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline

C35H31FN4O — CID 144697891

IUPAC4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(F)ccc1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H31FN4O/c36-30-16-17-32(31(25-30)34(37)26-18-19-38-33(24-26)40-20-22-41-23-21-40)39-35(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,24-25,37,39H,20-23H2/b37-34+
InChIKeyZJEWKNZPVIBXMF-NFSLGCCLSA-N
MW542.66 g/mol
LogP6.88
Rot. Bonds8

About 4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline

4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline (PubChem CID 144697891) has the molecular formula C35H31FN4O and a molecular weight of 542.66 g/mol. Its IUPAC name is 4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline.

Molecular Properties

Compound Name4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline
PubChem CID144697891
Molecular FormulaC35H31FN4O
Molecular Weight542.66 g/mol
Exact Mass542.25
IUPAC Name4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(F)ccc1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H31FN4O/c36-30-16-17-32(31(25-30)34(37)26-18-19-38-33(24-26)40-20-22-41-23-21-40)39-35(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,24-25,37,39H,20-23H2/b37-34+
InChIKeyZJEWKNZPVIBXMF-NFSLGCCLSA-N
XLogP6.88
TPSA61.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.66
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline?
The IUPAC name of 4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline (CID 144697891) is 4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline.
What is the SMILES notation for 4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline?
The canonical SMILES for 4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline is [H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(F)ccc1NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline?
The InChIKey is ZJEWKNZPVIBXMF-NFSLGCCLSA-N. The full InChI is InChI=1S/C35H31FN4O/c36-30-16-17-32(31(25-30)34(37)26-18-19-38-33(24-26)40-20-22-41-23-21-40)39-35(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,24-25,37,39H,20-23H2/b37-34+.
What are the key properties of 4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline?
4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline has a molecular weight of 542.66 g/mol, XLogP of 6.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline is sourced from PubChem (CID 144697891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).