(2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide

C26H33FN2O4 — CID 170395856

IUPAC(2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
SMILESCc1c(F)ccc([C@H]2[C@H](C(=O)Nc3ccc([C@H]4COC(C)(C)O4)nc3)OC(C)(C)[C@H]2C)c1C
InChIInChI=1S/C26H33FN2O4/c1-14-15(2)19(27)10-9-18(14)22-16(3)25(4,5)33-23(22)24(30)29-17-8-11-20(28-12-17)21-13-31-26(6,7)32-21/h8-12,16,21-23H,13H2,1-7H3,(H,29,30)/t16-,21+,22-,23+/m0/s1
InChIKeyMONHXZWEURNOQJ-AZIXLERZSA-N
MW456.56 g/mol
LogP5.20
Rot. Bonds4

About (2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide

(2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide (PubChem CID 170395856) has the molecular formula C26H33FN2O4 and a molecular weight of 456.56 g/mol. Its IUPAC name is (2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
PubChem CID170395856
Molecular FormulaC26H33FN2O4
Molecular Weight456.56 g/mol
Exact Mass456.24
IUPAC Name(2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
SMILESCc1c(F)ccc([C@H]2[C@H](C(=O)Nc3ccc([C@H]4COC(C)(C)O4)nc3)OC(C)(C)[C@H]2C)c1C
InChIInChI=1S/C26H33FN2O4/c1-14-15(2)19(27)10-9-18(14)22-16(3)25(4,5)33-23(22)24(30)29-17-8-11-20(28-12-17)21-13-31-26(6,7)32-21/h8-12,16,21-23H,13H2,1-7H3,(H,29,30)/t16-,21+,22-,23+/m0/s1
InChIKeyMONHXZWEURNOQJ-AZIXLERZSA-N
XLogP5.20
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.56
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide with MolForge

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Related Compounds

(2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-(3,4-difluoro-2-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
CID 170407918
(2R,3S,4S)-N-(2-acetyl-4-pyridinyl)-3-(3,4-difluoro-2-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
CID 170407919
(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
(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
[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid
CID 175806150
(2R,3S,4S)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[6-(hydroxymethyl)-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 170395777
(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
(2S,3R,4R)-3-[3-(difluoromethyl)-4-fluoro-2-methoxyphenyl]-N-[2-(hydroxymethyl)pyrimidin-5-yl]-4,5,5-trimethyloxolane-2-carboxamide
CID 170395781
(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,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 170407719
(2S,4R)-3-(2-ethoxy-3,4-difluorophenyl)-4,5,5-trimethyl-N-(2-methylsulfonyl-4-pyridinyl)oxolane-2-carboxamide
CID 167211641

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide (CID 170395856) is (2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide is Cc1c(F)ccc([C@H]2[C@H](C(=O)Nc3ccc([C@H]4COC(C)(C)O4)nc3)OC(C)(C)[C@H]2C)c1C.
What is the InChIKey of (2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
The InChIKey is MONHXZWEURNOQJ-AZIXLERZSA-N. The full InChI is InChI=1S/C26H33FN2O4/c1-14-15(2)19(27)10-9-18(14)22-16(3)25(4,5)33-23(22)24(30)29-17-8-11-20(28-12-17)21-13-31-26(6,7)32-21/h8-12,16,21-23H,13H2,1-7H3,(H,29,30)/t16-,21+,22-,23+/m0/s1.
What are the key properties of (2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide?
(2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide has a molecular weight of 456.56 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-N-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-pyridinyl]-3-(4-fluoro-2,3-dimethylphenyl)-4,5,5-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 170395856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).