pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)

C22H24N6O6 — CID 122691217

IUPACpyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)
SMILESNC(=O)c1cnc(C(N)=O)cn1.O=C(O)CCc1cccnc1.O=C(O)CCc1cccnc1
InChIInChI=1S/2C8H9NO2.C6H6N4O2/c2*10-8(11)4-3-7-2-1-5-9-6-7;7-5(11)3-1-9-4(2-10-3)6(8)12/h2*1-2,5-6H,3-4H2,(H,10,11);1-2H,(H2,7,11)(H2,8,12)
InChIKeyZYWWMQNJSFCASI-UHFFFAOYSA-N
MW468.47 g/mol
LogP0.87
Rot. Bonds8

About pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)

pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid) (PubChem CID 122691217) has the molecular formula C22H24N6O6 and a molecular weight of 468.47 g/mol. Its IUPAC name is pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid).

Molecular Properties

Compound Namepyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)
PubChem CID122691217
Molecular FormulaC22H24N6O6
Molecular Weight468.47 g/mol
Exact Mass468.18
IUPAC Namepyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)
SMILESNC(=O)c1cnc(C(N)=O)cn1.O=C(O)CCc1cccnc1.O=C(O)CCc1cccnc1
InChIInChI=1S/2C8H9NO2.C6H6N4O2/c2*10-8(11)4-3-7-2-1-5-9-6-7;7-5(11)3-1-9-4(2-10-3)6(8)12/h2*1-2,5-6H,3-4H2,(H,10,11);1-2H,(H2,7,11)(H2,8,12)
InChIKeyZYWWMQNJSFCASI-UHFFFAOYSA-N
XLogP0.87
TPSA212.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid
CID 67301169
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 107434413
1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 167534942
butanedioic acid;pyridine-3-carboxamide
CID 159465776
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
3-(3-pyridin-3-ylpropoxy)propanoic acid
CID 21282788
3-[2,5-dimethyl-3,6-dioxo-4-(pyridin-3-ylmethyl)cyclohexa-1,4-dien-1-yl]propanoic acid
CID 14894867
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
1,1,1-trifluoro-4-pyridin-3-ylbutan-2-one
CID 129453005

Frequently Asked Questions

What is the IUPAC name of pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)?
The IUPAC name of pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid) (CID 122691217) is pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid).
What is the SMILES notation for pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)?
The canonical SMILES for pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid) is NC(=O)c1cnc(C(N)=O)cn1.O=C(O)CCc1cccnc1.O=C(O)CCc1cccnc1.
What is the InChIKey of pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)?
The InChIKey is ZYWWMQNJSFCASI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9NO2.C6H6N4O2/c2*10-8(11)4-3-7-2-1-5-9-6-7;7-5(11)3-1-9-4(2-10-3)6(8)12/h2*1-2,5-6H,3-4H2,(H,10,11);1-2H,(H2,7,11)(H2,8,12).
What are the key properties of pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)?
pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid) has a molecular weight of 468.47 g/mol, XLogP of 0.87, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid) is sourced from PubChem (CID 122691217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).