5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)

C27H22N4O7 — CID 139061674

IUPAC5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)
SMILESNC(=O)c1ccncc1.NC(=O)c1ccncc1.O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O5.2C6H6N2O/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;2*7-6(9)5-1-3-8-4-2-5/h1-7,16-18H;2*1-4H,(H2,7,9)
InChIKeyDTOFRSWWBHWRIO-UHFFFAOYSA-N
MW514.49 g/mol
LogP2.94
Rot. Bonds3

About 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)

5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide) (PubChem CID 139061674) has the molecular formula C27H22N4O7 and a molecular weight of 514.49 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide).

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)
PubChem CID139061674
Molecular FormulaC27H22N4O7
Molecular Weight514.49 g/mol
Exact Mass514.15
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)
SMILESNC(=O)c1ccncc1.NC(=O)c1ccncc1.O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O5.2C6H6N2O/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;2*7-6(9)5-1-3-8-4-2-5/h1-7,16-18H;2*1-4H,(H2,7,9)
InChIKeyDTOFRSWWBHWRIO-UHFFFAOYSA-N
XLogP2.94
TPSA202.86 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.49
LogP ≤ 52.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)?
The IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide) (CID 139061674) is 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide).
What is the SMILES notation for 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)?
The canonical SMILES for 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide) is NC(=O)c1ccncc1.NC(=O)c1ccncc1.O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)?
The InChIKey is DTOFRSWWBHWRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5.2C6H6N2O/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;2*7-6(9)5-1-3-8-4-2-5/h1-7,16-18H;2*1-4H,(H2,7,9).
What are the key properties of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)?
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide) has a molecular weight of 514.49 g/mol, XLogP of 2.94, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide) is sourced from PubChem (CID 139061674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).