pyridine-4-carboxamide

C12H12N4O2 — CID 67631168

IUPACpyridine-4-carboxamide
SMILESNC(=O)c1ccncc1.NC(=O)c1ccncc1
InChIInChI=1S/2C6H6N2O/c2*7-6(9)5-1-3-8-4-2-5/h2*1-4H,(H2,7,9)
InChIKeyUZFKIHMFDWGBKC-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.36
Rot. Bonds2

About pyridine-4-carboxamide

pyridine-4-carboxamide (PubChem CID 67631168) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is pyridine-4-carboxamide.

Molecular Properties

Compound Namepyridine-4-carboxamide
PubChem CID67631168
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Namepyridine-4-carboxamide
SMILESNC(=O)c1ccncc1.NC(=O)c1ccncc1
InChIInChI=1S/2C6H6N2O/c2*7-6(9)5-1-3-8-4-2-5/h2*1-4H,(H2,7,9)
InChIKeyUZFKIHMFDWGBKC-UHFFFAOYSA-N
XLogP0.36
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridine-4-carboxamide?
The IUPAC name of pyridine-4-carboxamide (CID 67631168) is pyridine-4-carboxamide.
What is the SMILES notation for pyridine-4-carboxamide?
The canonical SMILES for pyridine-4-carboxamide is NC(=O)c1ccncc1.NC(=O)c1ccncc1.
What is the InChIKey of pyridine-4-carboxamide?
The InChIKey is UZFKIHMFDWGBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6N2O/c2*7-6(9)5-1-3-8-4-2-5/h2*1-4H,(H2,7,9).
What are the key properties of pyridine-4-carboxamide?
pyridine-4-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-4-carboxamide is sourced from PubChem (CID 67631168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).