N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

C26H26F3N3O5 — CID 134609709

IUPACN-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)cc1-c1cc(OCCO)nc(C2CCOCC2)c1
InChIInChI=1S/C26H26F3N3O5/c1-15-2-3-19(31-25(35)21-12-18(26(27,28)29)14-30-24(21)34)13-20(15)17-10-22(16-4-7-36-8-5-16)32-23(11-17)37-9-6-33/h2-3,10-14,16,33H,4-9H2,1H3,(H,30,34)(H,31,35)
InChIKeyCTROUHYNUQHONM-UHFFFAOYSA-N
MW517.50 g/mol
LogP4.28
Rot. Bonds7

About N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 134609709) has the molecular formula C26H26F3N3O5 and a molecular weight of 517.50 g/mol. Its IUPAC name is N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID134609709
Molecular FormulaC26H26F3N3O5
Molecular Weight517.50 g/mol
Exact Mass517.18
IUPAC NameN-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)cc1-c1cc(OCCO)nc(C2CCOCC2)c1
InChIInChI=1S/C26H26F3N3O5/c1-15-2-3-19(31-25(35)21-12-18(26(27,28)29)14-30-24(21)34)13-20(15)17-10-22(16-4-7-36-8-5-16)32-23(11-17)37-9-6-33/h2-3,10-14,16,33H,4-9H2,1H3,(H,30,34)(H,31,35)
InChIKeyCTROUHYNUQHONM-UHFFFAOYSA-N
XLogP4.28
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.50
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

US10167279, Example 259
CID 134609343
US10167279, Example 271
CID 134609347
US10167279, Example 190
CID 134609352
US10167279, Example 41
CID 134609355
US10167279, Example 305
CID 134609359
US10167279, Example 265
CID 134609367
US10167279, Example 283
CID 134609401
US10167279, Example 55
CID 134609406
US10167279, Example 216
CID 134609410
US10167279, Example 281
CID 134609416
US10167279, Example 56
CID 134609437
US10167279, Example 206
CID 134609463

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 134609709) is N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)cc1-c1cc(OCCO)nc(C2CCOCC2)c1.
What is the InChIKey of N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CTROUHYNUQHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O5/c1-15-2-3-19(31-25(35)21-12-18(26(27,28)29)14-30-24(21)34)13-20(15)17-10-22(16-4-7-36-8-5-16)32-23(11-17)37-9-6-33/h2-3,10-14,16,33H,4-9H2,1H3,(H,30,34)(H,31,35).
What are the key properties of N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 517.50 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 134609709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).