3-cyanopyridine-4-carboxamide

C7H5N3O — CID 68581074

IUPAC3-cyanopyridine-4-carboxamide
SMILESN#Cc1cnccc1C(N)=O
InChIInChI=1S/C7H5N3O/c8-3-5-4-10-2-1-6(5)7(9)11/h1-2,4H,(H2,9,11)
InChIKeyQHHYPUFDPYMXMV-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.05
Rot. Bonds1

About 3-cyanopyridine-4-carboxamide

3-cyanopyridine-4-carboxamide (PubChem CID 68581074) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 3-cyanopyridine-4-carboxamide.

Molecular Properties

Compound Name3-cyanopyridine-4-carboxamide
PubChem CID68581074
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name3-cyanopyridine-4-carboxamide
SMILESN#Cc1cnccc1C(N)=O
InChIInChI=1S/C7H5N3O/c8-3-5-4-10-2-1-6(5)7(9)11/h1-2,4H,(H2,9,11)
InChIKeyQHHYPUFDPYMXMV-UHFFFAOYSA-N
XLogP0.05
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyanopyridine-4-carboxamide?
The IUPAC name of 3-cyanopyridine-4-carboxamide (CID 68581074) is 3-cyanopyridine-4-carboxamide.
What is the SMILES notation for 3-cyanopyridine-4-carboxamide?
The canonical SMILES for 3-cyanopyridine-4-carboxamide is N#Cc1cnccc1C(N)=O.
What is the InChIKey of 3-cyanopyridine-4-carboxamide?
The InChIKey is QHHYPUFDPYMXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c8-3-5-4-10-2-1-6(5)7(9)11/h1-2,4H,(H2,9,11).
What are the key properties of 3-cyanopyridine-4-carboxamide?
3-cyanopyridine-4-carboxamide has a molecular weight of 147.14 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanopyridine-4-carboxamide is sourced from PubChem (CID 68581074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).