pyridine-4-carboxamide

C6H6N2O — CID 15074

IUPACpyridine-4-carboxamide
SMILESNC(=O)c1ccncc1
InChIInChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
InChIKeyVFQXVTODMYMSMJ-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.18
Rot. Bonds1

About pyridine-4-carboxamide

pyridine-4-carboxamide (PubChem CID 15074) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is pyridine-4-carboxamide.

Molecular Properties

Compound Namepyridine-4-carboxamide
PubChem CID15074
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Namepyridine-4-carboxamide
SMILESNC(=O)c1ccncc1
InChIInChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
InChIKeyVFQXVTODMYMSMJ-UHFFFAOYSA-N
XLogP0.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotinamide
CID 936
Isoniazid
CID 3767
Milrinone
CID 4197
Iproniazid
CID 3748
Amrinone
CID 3698
3-Pyridinecarboxaldehyde
CID 10371
3-Acetylpyridine
CID 9589
Nicotinohydroxamic acid
CID 71211
N'-Methylnicotinamide
CID 64950
N,N-Diethylnicotinamide
CID 5497
1-Methylnicotinamide
CID 457
4-Acetylpyridine
CID 14282

Frequently Asked Questions

What is the IUPAC name of pyridine-4-carboxamide?
The IUPAC name of pyridine-4-carboxamide (CID 15074) is pyridine-4-carboxamide.
What is the SMILES notation for pyridine-4-carboxamide?
The canonical SMILES for pyridine-4-carboxamide is NC(=O)c1ccncc1.
What is the InChIKey of pyridine-4-carboxamide?
The InChIKey is VFQXVTODMYMSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9).
What are the key properties of pyridine-4-carboxamide?
pyridine-4-carboxamide has a molecular weight of 122.13 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-4-carboxamide is sourced from PubChem (CID 15074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).