bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide)

C24H24N8O4 — CID 139144305

IUPACbis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide)
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1
InChIInChI=1S/4C6H6N2O/c2*7-6(9)5-1-3-8-4-2-5;2*7-6(9)5-2-1-3-8-4-5/h4*1-4H,(H2,7,9)
InChIKeyYFQZTAQHGPTONQ-UHFFFAOYSA-N
MW488.51 g/mol
LogP0.72
Rot. Bonds4

About bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide)

bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide) (PubChem CID 139144305) has the molecular formula C24H24N8O4 and a molecular weight of 488.51 g/mol. Its IUPAC name is bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide).

Molecular Properties

Compound Namebis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide)
PubChem CID139144305
Molecular FormulaC24H24N8O4
Molecular Weight488.51 g/mol
Exact Mass488.19
IUPAC Namebis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide)
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1
InChIInChI=1S/4C6H6N2O/c2*7-6(9)5-1-3-8-4-2-5;2*7-6(9)5-2-1-3-8-4-5/h4*1-4H,(H2,7,9)
InChIKeyYFQZTAQHGPTONQ-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 bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide)?
The IUPAC name of bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide) (CID 139144305) is bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide).
What is the SMILES notation for bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide)?
The canonical SMILES for bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide) is NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.
What is the InChIKey of bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide)?
The InChIKey is YFQZTAQHGPTONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H6N2O/c2*7-6(9)5-1-3-8-4-2-5;2*7-6(9)5-2-1-3-8-4-5/h4*1-4H,(H2,7,9).
What are the key properties of bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide)?
bis(pyridine-3-carboxamide);bis(pyridine-4-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 bis(pyridine-3-carboxamide);bis(pyridine-4-carboxamide) is sourced from PubChem (CID 139144305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).