4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

C20H18F5N3O3 — CID 169046977

IUPAC4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
SMILESC[C@@H]1[C@@H](c2ccc(F)c(F)c2)[C@@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C20H18F5N3O3/c1-9-15(10-3-4-12(21)13(22)7-10)16(31-19(9,2)20(23,24)25)18(30)28-11-5-6-27-14(8-11)17(26)29/h3-9,15-16H,1-2H3,(H2,26,29)(H,27,28,30)/t9-,15+,16+,19-/m1/s1
InChIKeyPWSWIPCEIFQBIF-DNBXASARSA-N
MW443.37 g/mol
LogP3.54
Rot. Bonds4

About 4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 169046977) has the molecular formula C20H18F5N3O3 and a molecular weight of 443.37 g/mol. Its IUPAC name is 4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
PubChem CID169046977
Molecular FormulaC20H18F5N3O3
Molecular Weight443.37 g/mol
Exact Mass443.13
IUPAC Name4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
SMILESC[C@@H]1[C@@H](c2ccc(F)c(F)c2)[C@@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C20H18F5N3O3/c1-9-15(10-3-4-12(21)13(22)7-10)16(31-19(9,2)20(23,24)25)18(30)28-11-5-6-27-14(8-11)17(26)29/h3-9,15-16H,1-2H3,(H2,26,29)(H,27,28,30)/t9-,15+,16+,19-/m1/s1
InChIKeyPWSWIPCEIFQBIF-DNBXASARSA-N
XLogP3.54
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S,3S,4R,5S)-3-(2-ethyl-3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169047148
4-[[(2R,3S,4R,5R)-3-(4-fluoro-2-hydroxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169047186
4-[[(2R,3S,4R,5S)-4,5-dimethyl-3-(1,1,7-trifluoro-2,3-dihydroinden-4-yl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 166159282
4-[[(2R,3R,4S,5R)-3-[3,4-difluoro-2-(trideuteriomethoxy)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 156535781
4-[[(2R,3S,4R,5S)-3-[3,4-difluoro-2-(trideuteriomethoxy)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169046716
(3S,4S,5R)-N-(2-acetyl-4-pyridinyl)-3-(4-fluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide;carbonyl difluoride
CID 159394573
4-[[(2S,3R,4R,5R)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169046722
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
4-[[(2S,3S,4R,5R)-3-(5-deuterio-3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169047029
4-[[(2S,3S,4S,5S)-3-(3-methoxy-2-pyridinyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 156535810
4-[[(2R,3S,4R,5S)-3-(3-methoxy-2-pyridinyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169046712
4-[[(2S,3R,4R,5S)-3-(5-chloro-3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169047000

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (CID 169046977) is 4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is C[C@@H]1[C@@H](c2ccc(F)c(F)c2)[C@@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@@]1(C)C(F)(F)F.
What is the InChIKey of 4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is PWSWIPCEIFQBIF-DNBXASARSA-N. The full InChI is InChI=1S/C20H18F5N3O3/c1-9-15(10-3-4-12(21)13(22)7-10)16(31-19(9,2)20(23,24)25)18(30)28-11-5-6-27-14(8-11)17(26)29/h3-9,15-16H,1-2H3,(H2,26,29)(H,27,28,30)/t9-,15+,16+,19-/m1/s1.
What are the key properties of 4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 443.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,3S,4R,5R)-3-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 169046977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).