pyridine-3-carboxamide

C24H24N8O4 — CID 139181671

IUPACpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1
InChIInChI=1S/4C6H6N2O/c4*7-6(9)5-2-1-3-8-4-5/h4*1-4H,(H2,7,9)
InChIKeySKCHQPKUPRLZQL-UHFFFAOYSA-N
MW488.51 g/mol
LogP0.72
Rot. Bonds4

About pyridine-3-carboxamide

pyridine-3-carboxamide (PubChem CID 139181671) has the molecular formula C24H24N8O4 and a molecular weight of 488.51 g/mol. Its IUPAC name is pyridine-3-carboxamide.

Molecular Properties

Compound Namepyridine-3-carboxamide
PubChem CID139181671
Molecular FormulaC24H24N8O4
Molecular Weight488.51 g/mol
Exact Mass488.19
IUPAC Namepyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1
InChIInChI=1S/4C6H6N2O/c4*7-6(9)5-2-1-3-8-4-5/h4*1-4H,(H2,7,9)
InChIKeySKCHQPKUPRLZQL-UHFFFAOYSA-N
XLogP0.72
TPSA223.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of pyridine-3-carboxamide?
The IUPAC name of pyridine-3-carboxamide (CID 139181671) is pyridine-3-carboxamide.
What is the SMILES notation for pyridine-3-carboxamide?
The canonical SMILES for pyridine-3-carboxamide is NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.
What is the InChIKey of pyridine-3-carboxamide?
The InChIKey is SKCHQPKUPRLZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H6N2O/c4*7-6(9)5-2-1-3-8-4-5/h4*1-4H,(H2,7,9).
What are the key properties of pyridine-3-carboxamide?
pyridine-3-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-carboxamide is sourced from PubChem (CID 139181671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).