(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide

C25H24N2O4 — CID 23818306

IUPAC(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1cccnc1)C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C25H24N2O4/c28-16-18-8-10-19(11-9-18)17-30-24-14-21(20-5-2-1-3-6-20)13-23(31-24)25(29)27-22-7-4-12-26-15-22/h1-13,15,21,24,28H,14,16-17H2,(H,27,29)/t21-,24+/m0/s1
InChIKeyJDHZPMWYKDMVPI-XUZZJYLKSA-N
MW416.48 g/mol
LogP4.14
Rot. Bonds7

About (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23818306) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23818306
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1cccnc1)C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C25H24N2O4/c28-16-18-8-10-19(11-9-18)17-30-24-14-21(20-5-2-1-3-6-20)13-23(31-24)25(29)27-22-7-4-12-26-15-22/h1-13,15,21,24,28H,14,16-17H2,(H,27,29)/t21-,24+/m0/s1
InChIKeyJDHZPMWYKDMVPI-XUZZJYLKSA-N
XLogP4.14
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23818306) is (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1cccnc1)C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1.
What is the InChIKey of (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is JDHZPMWYKDMVPI-XUZZJYLKSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-16-18-8-10-19(11-9-18)17-30-24-14-21(20-5-2-1-3-6-20)13-23(31-24)25(29)27-22-7-4-12-26-15-22/h1-13,15,21,24,28H,14,16-17H2,(H,27,29)/t21-,24+/m0/s1.
What are the key properties of (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23818306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).