6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

C26H21FN4O3 — CID 66799764

IUPAC6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)CN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(N)=O)n1
InChIInChI=1S/C26H21FN4O3/c27-19-8-12-22(13-9-19)34-21-10-6-17(7-11-21)18-14-23(26(29)33)30-25(15-18)31(16-24(28)32)20-4-2-1-3-5-20/h1-15H,16H2,(H2,28,32)(H2,29,33)
InChIKeyDOCPGXWRTRBJKR-UHFFFAOYSA-N
MW456.48 g/mol
LogP4.40
Rot. Bonds8

About 6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 66799764) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is 6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID66799764
Molecular FormulaC26H21FN4O3
Molecular Weight456.48 g/mol
Exact Mass456.16
IUPAC Name6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)CN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(N)=O)n1
InChIInChI=1S/C26H21FN4O3/c27-19-8-12-22(13-9-19)34-21-10-6-17(7-11-21)18-14-23(26(29)33)30-25(15-18)31(16-24(28)32)20-4-2-1-3-5-20/h1-15H,16H2,(H2,28,32)(H2,29,33)
InChIKeyDOCPGXWRTRBJKR-UHFFFAOYSA-N
XLogP4.40
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide 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 6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 66799764) is 6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is NC(=O)CN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(N)=O)n1.
What is the InChIKey of 6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is DOCPGXWRTRBJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3/c27-19-8-12-22(13-9-19)34-21-10-6-17(7-11-21)18-14-23(26(29)33)30-25(15-18)31(16-24(28)32)20-4-2-1-3-5-20/h1-15H,16H2,(H2,28,32)(H2,29,33).
What are the key properties of 6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-(2-amino-2-oxoethyl)anilino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66799764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).