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

C24H24F3N5O4 — CID 171399935

IUPACN-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide
SMILESCC1O[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@H](O)[C@H](O)[C@H]1Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C24H24F3N5O4/c1-13-20(32-19-12-28-11-18(31-19)24(25,26)27)22(34)21(33)17(36-13)10-30-23(35)15-7-8-16(29-9-15)14-5-3-2-4-6-14/h2-9,11-13,17,20-22,33-34H,10H2,1H3,(H,30,35)(H,31,32)/t13?,17-,20+,21+,22-/m1/s1
InChIKeyBWJBUYPYLCQSRN-WRDKJOOJSA-N
MW503.48 g/mol
LogP2.28
Rot. Bonds6

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

N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide (PubChem CID 171399935) has the molecular formula C24H24F3N5O4 and a molecular weight of 503.48 g/mol. Its IUPAC name is N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide
PubChem CID171399935
Molecular FormulaC24H24F3N5O4
Molecular Weight503.48 g/mol
Exact Mass503.18
IUPAC NameN-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide
SMILESCC1O[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@H](O)[C@H](O)[C@H]1Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C24H24F3N5O4/c1-13-20(32-19-12-28-11-18(31-19)24(25,26)27)22(34)21(33)17(36-13)10-30-23(35)15-7-8-16(29-9-15)14-5-3-2-4-6-14/h2-9,11-13,17,20-22,33-34H,10H2,1H3,(H,30,35)(H,31,32)/t13?,17-,20+,21+,22-/m1/s1
InChIKeyBWJBUYPYLCQSRN-WRDKJOOJSA-N
XLogP2.28
TPSA129.49 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.48
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90442611
N-[5-[2-[[(2S)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456389
N-[5-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90461316
N-[5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609676
N-[5-[6-[2-hydroxyethyl(methyl)amino]-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609803
N-[5-[2-(3-hydroxypyrrolidin-1-yl)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609845
3-(difluoromethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]benzamide
CID 117609995
US10377770, Example 131
CID 129271575
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 231
CID 68160966
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

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide (CID 171399935) is N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide is CC1O[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)[C@H](O)[C@H](O)[C@H]1Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is BWJBUYPYLCQSRN-WRDKJOOJSA-N. The full InChI is InChI=1S/C24H24F3N5O4/c1-13-20(32-19-12-28-11-18(31-19)24(25,26)27)22(34)21(33)17(36-13)10-30-23(35)15-7-8-16(29-9-15)14-5-3-2-4-6-14/h2-9,11-13,17,20-22,33-34H,10H2,1H3,(H,30,35)(H,31,32)/t13?,17-,20+,21+,22-/m1/s1.
What are the key properties of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide?
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 503.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-6-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 171399935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).