N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide

C20H23F3N6O4 — CID 171557427

About N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide

N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide (PubChem CID 171557427) has the molecular formula C20H23F3N6O4 and a molecular weight of 468.44 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]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide
• PubChem CID: 171557427
• Molecular Formula: C20H23F3N6O4
• Molecular Weight: 468.44 g/mol
• Exact Mass: 468.17
• IUPAC Name: N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide
• SMILES: O=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1ccc2c(n1)CCCN2
• InChI: InChI=1S/C20H23F3N6O4/c21-20(22,23)15-7-24-8-16(29-15)28-13-9-33-14(18(31)17(13)30)6-26-19(32)12-4-3-10-11(27-12)2-1-5-25-10/h3-4,7-8,13-14,17-18,25,30-31H,1-2,5-6,9H2,(H,26,32)(H,28,29)/t13-,14+,17+,18-/m0/s1
• InChIKey: WTFKRHGJQRSDTE-JFTQMJAMSA-N
• XLogP: 0.58
• TPSA: 141.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.44
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

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]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide?

The IUPAC name of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide (CID 171557427) is N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-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]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide?

The canonical SMILES for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide is O=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1ccc2c(n1)CCCN2.

What is the InChIKey of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide?

The InChIKey is WTFKRHGJQRSDTE-JFTQMJAMSA-N. The full InChI is InChI=1S/C20H23F3N6O4/c21-20(22,23)15-7-24-8-16(29-15)28-13-9-33-14(18(31)17(13)30)6-26-19(32)12-4-3-10-11(27-12)2-1-5-25-10/h3-4,7-8,13-14,17-18,25,30-31H,1-2,5-6,9H2,(H,26,32)(H,28,29)/t13-,14+,17+,18-/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]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide?

N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 0.58, 5 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]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 171557427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).