5-(cyanomethyl)pyridine-3-carboxamide

C8H7N3O — CID 90699791

IUPAC5-(cyanomethyl)pyridine-3-carboxamide
SMILESN#CCc1cncc(C(N)=O)c1
InChIInChI=1S/C8H7N3O/c9-2-1-6-3-7(8(10)12)5-11-4-6/h3-5H,1H2,(H2,10,12)
InChIKeyUCPRLGZVQSFZKQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.25
Rot. Bonds2

About 5-(cyanomethyl)pyridine-3-carboxamide

5-(cyanomethyl)pyridine-3-carboxamide (PubChem CID 90699791) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-(cyanomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cyanomethyl)pyridine-3-carboxamide
PubChem CID90699791
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-(cyanomethyl)pyridine-3-carboxamide
SMILESN#CCc1cncc(C(N)=O)c1
InChIInChI=1S/C8H7N3O/c9-2-1-6-3-7(8(10)12)5-11-4-6/h3-5H,1H2,(H2,10,12)
InChIKeyUCPRLGZVQSFZKQ-UHFFFAOYSA-N
XLogP0.25
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyanomethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(cyanomethyl)pyridine-3-carboxamide (CID 90699791) is 5-(cyanomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(cyanomethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(cyanomethyl)pyridine-3-carboxamide is N#CCc1cncc(C(N)=O)c1.
What is the InChIKey of 5-(cyanomethyl)pyridine-3-carboxamide?
The InChIKey is UCPRLGZVQSFZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-2-1-6-3-7(8(10)12)5-11-4-6/h3-5H,1H2,(H2,10,12).
What are the key properties of 5-(cyanomethyl)pyridine-3-carboxamide?
5-(cyanomethyl)pyridine-3-carboxamide has a molecular weight of 161.16 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyanomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90699791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).