(2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide

C23H29FN2O5 — CID 170395688

IUPAC(2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc([C@H](O)CO)nc3)OC(C)(C)[C@H]2C)ccc(F)c1C
InChIInChI=1S/C23H29FN2O5/c1-12-16(24)8-7-15(20(12)30-5)19-13(2)23(3,4)31-21(19)22(29)26-14-6-9-17(25-10-14)18(28)11-27/h6-10,13,18-19,21,27-28H,11H2,1-5H3,(H,26,29)/t13-,18+,19-,21+/m0/s1
InChIKeyAYKJNOAUMHEUAK-DXRQPORESA-N
MW432.49 g/mol
LogP3.10
Rot. Bonds6

About (2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide

(2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide (PubChem CID 170395688) has the molecular formula C23H29FN2O5 and a molecular weight of 432.49 g/mol. Its IUPAC name is (2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
PubChem CID170395688
Molecular FormulaC23H29FN2O5
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC Name(2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
SMILESCOc1c([C@H]2[C@H](C(=O)Nc3ccc([C@H](O)CO)nc3)OC(C)(C)[C@H]2C)ccc(F)c1C
InChIInChI=1S/C23H29FN2O5/c1-12-16(24)8-7-15(20(12)30-5)19-13(2)23(3,4)31-21(19)22(29)26-14-6-9-17(25-10-14)18(28)11-27/h6-10,13,18-19,21,27-28H,11H2,1-5H3,(H,26,29)/t13-,18+,19-,21+/m0/s1
InChIKeyAYKJNOAUMHEUAK-DXRQPORESA-N
XLogP3.10
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide with MolForge

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Related Compounds

(2S,3R,4R)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(2-methoxy-3,4-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
CID 166159109
(2R,3S,4S)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S)-2-fluoro-1-hydroxyethyl]-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 170395744
(2R,3S,4S)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1R,2R)-1,2-dihydroxypropyl]-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 170395646
(2S,3R,4R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 166160259
(2S,3R,4R,5S)-3-(3,4-difluoro-2-methylphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166583841
(2R,3S,4S)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 170395777
(3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1R)-1-hydroxy-2-methoxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167299107
(2S,3R,4R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[2-(hydroxymethyl)pyrimidin-5-yl]-4,5,5-trimethyloxolane-2-carboxamide
CID 170395781
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]pyrimidin-5-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166583806
(2R,3S,4S,5R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166158994
(2S,3S,4R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4-methoxy-5,5-dimethyloxolane-2-carboxamide
CID 167206116
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[2-[(1S)-1,2-dihydroxyethyl]-5-fluoro-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160181

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide (CID 170395688) is (2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide is COc1c([C@H]2[C@H](C(=O)Nc3ccc([C@H](O)CO)nc3)OC(C)(C)[C@H]2C)ccc(F)c1C.
What is the InChIKey of (2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
The InChIKey is AYKJNOAUMHEUAK-DXRQPORESA-N. The full InChI is InChI=1S/C23H29FN2O5/c1-12-16(24)8-7-15(20(12)30-5)19-13(2)23(3,4)31-21(19)22(29)26-14-6-9-17(25-10-14)18(28)11-27/h6-10,13,18-19,21,27-28H,11H2,1-5H3,(H,26,29)/t13-,18+,19-,21+/m0/s1.
What are the key properties of (2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
(2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-N-[6-[(1S)-1,2-dihydroxyethyl]-3-pyridinyl]-3-(4-fluoro-2-methoxy-3-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 170395688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).