[(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone

C26H23N3O4 — CID 102440261

IUPAC[(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@@H]1[C@@H](c2ccco2)C[C@@](O)(c2ccccn2)C[C@@]1(O)c1ccccn1
InChIInChI=1S/C26H23N3O4/c30-24(19-8-1-4-12-27-19)23-18(20-9-7-15-33-20)16-25(31,21-10-2-5-13-28-21)17-26(23,32)22-11-3-6-14-29-22/h1-15,18,23,31-32H,16-17H2/t18-,23+,25+,26-/m1/s1
InChIKeyMMCCQIIUDATERA-DEDYZTHKSA-N
MW441.49 g/mol
LogP3.62
Rot. Bonds5

About [(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone

[(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone (PubChem CID 102440261) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is [(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone
PubChem CID102440261
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name[(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@@H]1[C@@H](c2ccco2)C[C@@](O)(c2ccccn2)C[C@@]1(O)c1ccccn1
InChIInChI=1S/C26H23N3O4/c30-24(19-8-1-4-12-27-19)23-18(20-9-7-15-33-20)16-25(31,21-10-2-5-13-28-21)17-26(23,32)22-11-3-6-14-29-22/h1-15,18,23,31-32H,16-17H2/t18-,23+,25+,26-/m1/s1
InChIKeyMMCCQIIUDATERA-DEDYZTHKSA-N
XLogP3.62
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

[(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone
CID 102440258
[(1R,2R)-2-hydroxy-2-pyridin-2-ylcyclopentyl]-pyridin-2-ylmethanone
CID 10849496
1-[4-[2-(9-butylcarbazole-3-carbonyl)-3,5-dihydroxy-3,5-dipyridin-2-ylcyclohexyl]phenyl]ethanone
CID 102199290
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
CID 1471621
oxiran-2-yl(pyridin-2-yl)methanone
CID 89057546
2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide
CID 67178300
trans-(1S,2S)-2-(furan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 97314930
[(3S,3aR,7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-2-ylmethanone
CID 7428360
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 95588197
1-[4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 95760466
1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone
CID 101338916

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone?
The IUPAC name of [(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone (CID 102440261) is [(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone?
The canonical SMILES for [(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone is O=C(c1ccccn1)[C@@H]1[C@@H](c2ccco2)C[C@@](O)(c2ccccn2)C[C@@]1(O)c1ccccn1.
What is the InChIKey of [(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone?
The InChIKey is MMCCQIIUDATERA-DEDYZTHKSA-N. The full InChI is InChI=1S/C26H23N3O4/c30-24(19-8-1-4-12-27-19)23-18(20-9-7-15-33-20)16-25(31,21-10-2-5-13-28-21)17-26(23,32)22-11-3-6-14-29-22/h1-15,18,23,31-32H,16-17H2/t18-,23+,25+,26-/m1/s1.
What are the key properties of [(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone?
[(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone has a molecular weight of 441.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 102440261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).