methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate

C24H23N3O3 — CID 54731326

IUPACmethyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(O)C[C@H](c2ccccn2)N(Cc2ccccc2)[C@@H]1c1ccccn1
InChIInChI=1S/C24H23N3O3/c1-30-24(29)22-21(28)15-20(18-11-5-7-13-25-18)27(16-17-9-3-2-4-10-17)23(22)19-12-6-8-14-26-19/h2-14,20,23,28H,15-16H2,1H3/t20-,23-/m1/s1
InChIKeySZIIAHZAMFWMPQ-NFBKMPQASA-N
MW401.47 g/mol
LogP4.15
Rot. Bonds5

About methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate

methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 54731326) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID54731326
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Namemethyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(O)C[C@H](c2ccccn2)N(Cc2ccccc2)[C@@H]1c1ccccn1
InChIInChI=1S/C24H23N3O3/c1-30-24(29)22-21(28)15-20(18-11-5-7-13-25-18)27(16-17-9-3-2-4-10-17)23(22)19-12-6-8-14-26-19/h2-14,20,23,28H,15-16H2,1H3/t20-,23-/m1/s1
InChIKeySZIIAHZAMFWMPQ-NFBKMPQASA-N
XLogP4.15
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 54731326) is methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=C(O)C[C@H](c2ccccn2)N(Cc2ccccc2)[C@@H]1c1ccccn1.
What is the InChIKey of methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is SZIIAHZAMFWMPQ-NFBKMPQASA-N. The full InChI is InChI=1S/C24H23N3O3/c1-30-24(29)22-21(28)15-20(18-11-5-7-13-25-18)27(16-17-9-3-2-4-10-17)23(22)19-12-6-8-14-26-19/h2-14,20,23,28H,15-16H2,1H3/t20-,23-/m1/s1.
What are the key properties of methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6S)-1-benzyl-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 54731326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).