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

C28H25N3O3 — CID 102440258

IUPAC[(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@@H]1[C@@H](c2ccccc2)C[C@@](O)(c2ccccn2)C[C@@]1(O)c1ccccn1
InChIInChI=1S/C28H25N3O3/c32-26(22-12-4-7-15-29-22)25-21(20-10-2-1-3-11-20)18-27(33,23-13-5-8-16-30-23)19-28(25,34)24-14-6-9-17-31-24/h1-17,21,25,33-34H,18-19H2/t21-,25+,27+,28-/m1/s1
InChIKeyKABFAHUBYVFQOM-NZHOUOPXSA-N
MW451.53 g/mol
LogP4.02
Rot. Bonds5

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

[(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone (PubChem CID 102440258) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is [(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone
PubChem CID102440258
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Name[(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@@H]1[C@@H](c2ccccc2)C[C@@](O)(c2ccccn2)C[C@@]1(O)c1ccccn1
InChIInChI=1S/C28H25N3O3/c32-26(22-12-4-7-15-29-22)25-21(20-10-2-1-3-11-20)18-27(33,23-13-5-8-16-30-23)19-28(25,34)24-14-6-9-17-31-24/h1-17,21,25,33-34H,18-19H2/t21-,25+,27+,28-/m1/s1
InChIKeyKABFAHUBYVFQOM-NZHOUOPXSA-N
XLogP4.02
TPSA96.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(1R,2S,4S,6S)-6-(furan-2-yl)-2,4-dihydroxy-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone
CID 102440261
[(1R,2R)-2-hydroxy-2-pyridin-2-ylcyclopentyl]-pyridin-2-ylmethanone
CID 10849496
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
CID 1471621
1-[4-[2-(9-butylcarbazole-3-carbonyl)-3,5-dihydroxy-3,5-dipyridin-2-ylcyclohexyl]phenyl]ethanone
CID 102199290
[(1S,2S,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003805
[(1R,2R,3R,4S)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003806
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
oxiran-2-yl(pyridin-2-yl)methanone
CID 89057546
3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one
CID 101031320
gadolinium;pyridine-2-carboxylic acid
CID 175231422
3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
CID 163342206
4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde
CID 170973042

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone?
The IUPAC name of [(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone (CID 102440258) is [(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone?
The canonical SMILES for [(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone is O=C(c1ccccn1)[C@@H]1[C@@H](c2ccccc2)C[C@@](O)(c2ccccn2)C[C@@]1(O)c1ccccn1.
What is the InChIKey of [(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone?
The InChIKey is KABFAHUBYVFQOM-NZHOUOPXSA-N. The full InChI is InChI=1S/C28H25N3O3/c32-26(22-12-4-7-15-29-22)25-21(20-10-2-1-3-11-20)18-27(33,23-13-5-8-16-30-23)19-28(25,34)24-14-6-9-17-31-24/h1-17,21,25,33-34H,18-19H2/t21-,25+,27+,28-/m1/s1.
What are the key properties of [(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone?
[(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone has a molecular weight of 451.53 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 102440258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).