6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide

C27H20FN5O2 — CID 44530602

IUPAC6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)cn1
InChIInChI=1S/C27H20FN5O2/c1-16(34)30-25-12-7-20(15-29-25)27(35)31-22-9-5-17(6-10-22)18-3-2-4-19(13-18)26-32-23-11-8-21(28)14-24(23)33-26/h2-15H,1H3,(H,31,35)(H,32,33)(H,29,30,34)
InChIKeyPVEDITIQGWFFNH-UHFFFAOYSA-N
MW465.49 g/mol
LogP5.64
Rot. Bonds5

About 6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide

6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide (PubChem CID 44530602) has the molecular formula C27H20FN5O2 and a molecular weight of 465.49 g/mol. Its IUPAC name is 6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide
PubChem CID44530602
Molecular FormulaC27H20FN5O2
Molecular Weight465.49 g/mol
Exact Mass465.16
IUPAC Name6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)cn1
InChIInChI=1S/C27H20FN5O2/c1-16(34)30-25-12-7-20(15-29-25)27(35)31-22-9-5-17(6-10-22)18-3-2-4-19(13-18)26-32-23-11-8-21(28)14-24(23)33-26/h2-15H,1H3,(H,31,35)(H,32,33)(H,29,30,34)
InChIKeyPVEDITIQGWFFNH-UHFFFAOYSA-N
XLogP5.64
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.49
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-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-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide (CID 44530602) is 6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)cn1.
What is the InChIKey of 6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide?
The InChIKey is PVEDITIQGWFFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5O2/c1-16(34)30-25-12-7-20(15-29-25)27(35)31-22-9-5-17(6-10-22)18-3-2-4-19(13-18)26-32-23-11-8-21(28)14-24(23)33-26/h2-15H,1H3,(H,31,35)(H,32,33)(H,29,30,34).
What are the key properties of 6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide?
6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 5.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44530602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).