N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide

C14H9N5O — CID 112527987

IUPACN-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccn1
InChIInChI=1S/C14H9N5O/c15-8-10-7-9(5-6-16-10)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
InChIKeyAZZPAJHOYCFUAD-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.08
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide

N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide (PubChem CID 112527987) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide
PubChem CID112527987
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC NameN-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccn1
InChIInChI=1S/C14H9N5O/c15-8-10-7-9(5-6-16-10)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
InChIKeyAZZPAJHOYCFUAD-UHFFFAOYSA-N
XLogP2.08
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide (CID 112527987) is N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide is N#Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccn1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide?
The InChIKey is AZZPAJHOYCFUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c15-8-10-7-9(5-6-16-10)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide?
N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide is sourced from PubChem (CID 112527987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).