N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide

C25H25F3N6O5 — CID 171400142

IUPACN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(C(=O)NC[C@H]3OC[C@H](Nc4cncc(C(F)(F)F)n4)[C@@H](O)[C@H]3O)cn2)cc1
InChIInChI=1S/C25H25F3N6O5/c1-29-23(37)14-4-2-13(3-5-14)16-7-6-15(8-31-16)24(38)32-9-18-22(36)21(35)17(12-39-18)33-20-11-30-10-19(34-20)25(26,27)28/h2-8,10-11,17-18,21-22,35-36H,9,12H2,1H3,(H,29,37)(H,32,38)(H,33,34)/t17-,18+,21+,22-/m0/s1
InChIKeyOLRKTQGVKAWBLG-KKXYHZGYSA-N
MW546.51 g/mol
LogP1.25
Rot. Bonds7

About N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide

N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 171400142) has the molecular formula C25H25F3N6O5 and a molecular weight of 546.51 g/mol. Its IUPAC name is N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID171400142
Molecular FormulaC25H25F3N6O5
Molecular Weight546.51 g/mol
Exact Mass546.18
IUPAC NameN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(C(=O)NC[C@H]3OC[C@H](Nc4cncc(C(F)(F)F)n4)[C@@H](O)[C@H]3O)cn2)cc1
InChIInChI=1S/C25H25F3N6O5/c1-29-23(37)14-4-2-13(3-5-14)16-7-6-15(8-31-16)24(38)32-9-18-22(36)21(35)17(12-39-18)33-20-11-30-10-19(34-20)25(26,27)28/h2-8,10-11,17-18,21-22,35-36H,9,12H2,1H3,(H,29,37)(H,32,38)(H,33,34)/t17-,18+,21+,22-/m0/s1
InChIKeyOLRKTQGVKAWBLG-KKXYHZGYSA-N
XLogP1.25
TPSA158.59 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.51
LogP ≤ 51.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

[4-[5-Amino-6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 71712054
N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609845
2-{4-[5-Amino-6-(2,3-dihydroxy-propylamino)-pyrazin-2-yl]-benzylamino}-5-cyano-N-[(S)-1-(4-fluoro-phenyl)-ethyl]-nicotinamide
CID 67086427
US10030016, Example 227
CID 68160442
US10030016, Example 242
CID 68160477
US10030016, Example 91
CID 68160936
US10030016, Example 231
CID 68160966
US10030016, Example 90
CID 68161258
US10030016, Example 245
CID 68161311
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide
CID 90155153
[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90313762
[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone
CID 90313790

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 171400142) is N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide is CNC(=O)c1ccc(-c2ccc(C(=O)NC[C@H]3OC[C@H](Nc4cncc(C(F)(F)F)n4)[C@@H](O)[C@H]3O)cn2)cc1.
What is the InChIKey of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OLRKTQGVKAWBLG-KKXYHZGYSA-N. The full InChI is InChI=1S/C25H25F3N6O5/c1-29-23(37)14-4-2-13(3-5-14)16-7-6-15(8-31-16)24(38)32-9-18-22(36)21(35)17(12-39-18)33-20-11-30-10-19(34-20)25(26,27)28/h2-8,10-11,17-18,21-22,35-36H,9,12H2,1H3,(H,29,37)(H,32,38)(H,33,34)/t17-,18+,21+,22-/m0/s1.
What are the key properties of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide?
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 546.51 g/mol, XLogP of 1.25, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 171400142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).