6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide

C25H21N5O2 — CID 58190952

IUPAC6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
SMILESCC(C)CC(=O)c1cccc2[nH]c(NC(=O)c3cccc(-c4cccc(C#N)c4)n3)nc12
InChIInChI=1S/C25H21N5O2/c1-15(2)12-22(31)18-8-4-10-20-23(18)29-25(28-20)30-24(32)21-11-5-9-19(27-21)17-7-3-6-16(13-17)14-26/h3-11,13,15H,12H2,1-2H3,(H2,28,29,30,32)
InChIKeyYOXPFUHHLQIALS-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.98
Rot. Bonds6

About 6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide

6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide (PubChem CID 58190952) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
PubChem CID58190952
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
SMILESCC(C)CC(=O)c1cccc2[nH]c(NC(=O)c3cccc(-c4cccc(C#N)c4)n3)nc12
InChIInChI=1S/C25H21N5O2/c1-15(2)12-22(31)18-8-4-10-20-23(18)29-25(28-20)30-24(32)21-11-5-9-19(27-21)17-7-3-6-16(13-17)14-26/h3-11,13,15H,12H2,1-2H3,(H2,28,29,30,32)
InChIKeyYOXPFUHHLQIALS-UHFFFAOYSA-N
XLogP4.98
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide (CID 58190952) is 6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide is CC(C)CC(=O)c1cccc2[nH]c(NC(=O)c3cccc(-c4cccc(C#N)c4)n3)nc12.
What is the InChIKey of 6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
The InChIKey is YOXPFUHHLQIALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-15(2)12-22(31)18-8-4-10-20-23(18)29-25(28-20)30-24(32)21-11-5-9-19(27-21)17-7-3-6-16(13-17)14-26/h3-11,13,15H,12H2,1-2H3,(H2,28,29,30,32).
What are the key properties of 6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide?
6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanophenyl)-N-[4-(3-methylbutanoyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58190952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).