(2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide

C23H28F2N2O4 — CID 170395838

IUPAC(2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
SMILESCOCC(O)c1ccc(NC(=O)[C@@H]2OC(C)(C)[C@@H](C)[C@H]2c2ccc(F)c(F)c2C)cn1
InChIInChI=1S/C23H28F2N2O4/c1-12-15(7-8-16(24)20(12)25)19-13(2)23(3,4)31-21(19)22(29)27-14-6-9-17(26-10-14)18(28)11-30-5/h6-10,13,18-19,21,28H,11H2,1-5H3,(H,27,29)/t13-,18?,19-,21+/m0/s1
InChIKeyGEUQPYCLCFYLLB-JYKJZDRQSA-N
MW434.48 g/mol
LogP3.88
Rot. Bonds6

About (2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide

(2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide (PubChem CID 170395838) has the molecular formula C23H28F2N2O4 and a molecular weight of 434.48 g/mol. Its IUPAC name is (2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
PubChem CID170395838
Molecular FormulaC23H28F2N2O4
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC Name(2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
SMILESCOCC(O)c1ccc(NC(=O)[C@@H]2OC(C)(C)[C@@H](C)[C@H]2c2ccc(F)c(F)c2C)cn1
InChIInChI=1S/C23H28F2N2O4/c1-12-15(7-8-16(24)20(12)25)19-13(2)23(3,4)31-21(19)22(29)27-14-6-9-17(26-10-14)18(28)11-30-5/h6-10,13,18-19,21,28H,11H2,1-5H3,(H,27,29)/t13-,18?,19-,21+/m0/s1
InChIKeyGEUQPYCLCFYLLB-JYKJZDRQSA-N
XLogP3.88
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide with MolForge

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Related Compounds

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(2S,3R,4R,5S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
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(2S,3R,4R,5S)-3-(4-fluoro-3-iodo-2-methylphenyl)-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
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(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-1-oxidopyridin-1-ium-3-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
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CID 166158924

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide (CID 170395838) is (2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide is COCC(O)c1ccc(NC(=O)[C@@H]2OC(C)(C)[C@@H](C)[C@H]2c2ccc(F)c(F)c2C)cn1.
What is the InChIKey of (2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide?
The InChIKey is GEUQPYCLCFYLLB-JYKJZDRQSA-N. The full InChI is InChI=1S/C23H28F2N2O4/c1-12-15(7-8-16(24)20(12)25)19-13(2)23(3,4)31-21(19)22(29)27-14-6-9-17(26-10-14)18(28)11-30-5/h6-10,13,18-19,21,28H,11H2,1-5H3,(H,27,29)/t13-,18?,19-,21+/m0/s1.
What are the key properties of (2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide?
(2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 170395838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).