N-(3-cyanophenyl)pyridine-2-carboxamide

C13H9N3O — CID 2445811

IUPACN-(3-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C13H9N3O/c14-9-10-4-3-5-11(8-10)16-13(17)12-6-1-2-7-15-12/h1-8H,(H,16,17)
InChIKeyQFROXXYHINJVKI-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.21
Rot. Bonds2

About N-(3-cyanophenyl)pyridine-2-carboxamide

N-(3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 2445811) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)pyridine-2-carboxamide
PubChem CID2445811
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC NameN-(3-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C13H9N3O/c14-9-10-4-3-5-11(8-10)16-13(17)12-6-1-2-7-15-12/h1-8H,(H,16,17)
InChIKeyQFROXXYHINJVKI-UHFFFAOYSA-N
XLogP2.21
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)pyridine-2-carboxamide (CID 2445811) is N-(3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)pyridine-2-carboxamide is N#Cc1cccc(NC(=O)c2ccccn2)c1.
What is the InChIKey of N-(3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is QFROXXYHINJVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c14-9-10-4-3-5-11(8-10)16-13(17)12-6-1-2-7-15-12/h1-8H,(H,16,17).
What are the key properties of N-(3-cyanophenyl)pyridine-2-carboxamide?
N-(3-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 223.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 2445811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).