(2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide

C22H22F4N2O4 — CID 170407719

IUPAC(2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide
SMILESCC(=O)c1cc(NC(=O)[C@@H]2OC(C)(C)[C@H](C)[C@H]2c2ccc(F)c(F)c2OC(F)F)ccn1
InChIInChI=1S/C22H22F4N2O4/c1-10-16(13-5-6-14(23)17(24)18(13)31-21(25)26)19(32-22(10,3)4)20(30)28-12-7-8-27-15(9-12)11(2)29/h5-10,16,19,21H,1-4H3,(H,27,28,30)/t10-,16+,19-/m1/s1
InChIKeySURNXFPDNUWASS-ULMSCDGUSA-N
MW454.42 g/mol
LogP4.70
Rot. Bonds6

About (2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide

(2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide (PubChem CID 170407719) has the molecular formula C22H22F4N2O4 and a molecular weight of 454.42 g/mol. Its IUPAC name is (2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide
PubChem CID170407719
Molecular FormulaC22H22F4N2O4
Molecular Weight454.42 g/mol
Exact Mass454.15
IUPAC Name(2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide
SMILESCC(=O)c1cc(NC(=O)[C@@H]2OC(C)(C)[C@H](C)[C@H]2c2ccc(F)c(F)c2OC(F)F)ccn1
InChIInChI=1S/C22H22F4N2O4/c1-10-16(13-5-6-14(23)17(24)18(13)31-21(25)26)19(32-22(10,3)4)20(30)28-12-7-8-27-15(9-12)11(2)29/h5-10,16,19,21H,1-4H3,(H,27,28,30)/t10-,16+,19-/m1/s1
InChIKeySURNXFPDNUWASS-ULMSCDGUSA-N
XLogP4.70
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2S,3S,4R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 157449935
(2R,3S,4S)-N-(2-acetyl-4-pyridinyl)-3-(3,4-difluoro-2-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
CID 170407919
(2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-(3,4-difluoro-2-methylphenyl)-4,5,5-trimethyloxolane-2-carboxamide
CID 170407918
4-[[(2S,3S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5,5-trimethyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169046603
(2R,3S,4R)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 159071067
(2S,3S,4S,5R)-N-(2-acetyl-4-pyridinyl)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 170407687
(2R,3S,4S)-N-(2-acetyl-4-pyridinyl)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 170407952
(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-N-[2-[(1S)-1,2-dihydroxyethyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211819
(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
4-[[(2S,3R,4R,5S)-3-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 156535697
3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 172713074
3-deuterio-4-[[(2R,3S,4S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5,5-trimethyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 158193084

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide?
The IUPAC name of (2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide (CID 170407719) is (2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide is CC(=O)c1cc(NC(=O)[C@@H]2OC(C)(C)[C@H](C)[C@H]2c2ccc(F)c(F)c2OC(F)F)ccn1.
What is the InChIKey of (2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide?
The InChIKey is SURNXFPDNUWASS-ULMSCDGUSA-N. The full InChI is InChI=1S/C22H22F4N2O4/c1-10-16(13-5-6-14(23)17(24)18(13)31-21(25)26)19(32-22(10,3)4)20(30)28-12-7-8-27-15(9-12)11(2)29/h5-10,16,19,21H,1-4H3,(H,27,28,30)/t10-,16+,19-/m1/s1.
What are the key properties of (2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide?
(2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide has a molecular weight of 454.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-N-(2-acetyl-4-pyridinyl)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5,5-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 170407719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).