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

C25H19N5O2S — CID 44523955

IUPAC6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cn1
InChIInChI=1S/C25H19N5O2S/c1-15(31)27-23-10-9-17(13-26-23)25(32)28-19-6-4-5-16(11-19)18-12-22(33-14-18)24-29-20-7-2-3-8-21(20)30-24/h2-14H,1H3,(H,28,32)(H,29,30)(H,26,27,31)
InChIKeyCDXFDZLDTFYLHW-UHFFFAOYSA-N
MW453.53 g/mol
LogP5.56
Rot. Bonds5

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

6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 44523955) has the molecular formula C25H19N5O2S and a molecular weight of 453.53 g/mol. Its IUPAC name is 6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide
PubChem CID44523955
Molecular FormulaC25H19N5O2S
Molecular Weight453.53 g/mol
Exact Mass453.13
IUPAC Name6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cn1
InChIInChI=1S/C25H19N5O2S/c1-15(31)27-23-10-9-17(13-26-23)25(32)28-19-6-4-5-16(11-19)18-12-22(33-14-18)24-29-20-7-2-3-8-21(20)30-24/h2-14H,1H3,(H,28,32)(H,29,30)(H,26,27,31)
InChIKeyCDXFDZLDTFYLHW-UHFFFAOYSA-N
XLogP5.56
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.53
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide (CID 44523955) is 6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cn1.
What is the InChIKey of 6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is CDXFDZLDTFYLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2S/c1-15(31)27-23-10-9-17(13-26-23)25(32)28-19-6-4-5-16(11-19)18-12-22(33-14-18)24-29-20-7-2-3-8-21(20)30-24/h2-14H,1H3,(H,28,32)(H,29,30)(H,26,27,31).
What are the key properties of 6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide?
6-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 5.56, 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-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44523955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).