6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide

C25H18FN5O2S — CID 44530613

IUPAC6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)c2)cn1
InChIInChI=1S/C25H18FN5O2S/c1-14(32)28-23-10-5-16(13-27-23)25(33)29-18-4-2-3-15(11-18)21-8-9-22(34-21)24-30-19-7-6-17(26)12-20(19)31-24/h2-13H,1H3,(H,29,33)(H,30,31)(H,27,28,32)
InChIKeyBHHVRLLBHXUTJZ-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.70
Rot. Bonds5

About 6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide

6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 44530613) has the molecular formula C25H18FN5O2S and a molecular weight of 471.52 g/mol. Its IUPAC name is 6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID44530613
Molecular FormulaC25H18FN5O2S
Molecular Weight471.52 g/mol
Exact Mass471.12
IUPAC Name6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)c2)cn1
InChIInChI=1S/C25H18FN5O2S/c1-14(32)28-23-10-5-16(13-27-23)25(33)29-18-4-2-3-15(11-18)21-8-9-22(34-21)24-30-19-7-6-17(26)12-20(19)31-24/h2-13H,1H3,(H,29,33)(H,30,31)(H,27,28,32)
InChIKeyBHHVRLLBHXUTJZ-UHFFFAOYSA-N
XLogP5.70
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]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-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide (CID 44530613) is 6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)c2)cn1.
What is the InChIKey of 6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is BHHVRLLBHXUTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O2S/c1-14(32)28-23-10-5-16(13-27-23)25(33)29-18-4-2-3-15(11-18)21-8-9-22(34-21)24-30-19-7-6-17(26)12-20(19)31-24/h2-13H,1H3,(H,29,33)(H,30,31)(H,27,28,32).
What are the key properties of 6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide?
6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 5.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44530613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).