N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C26H26F3N3O5 — CID 135133415

IUPACN-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(OCCO)nc(C2CCOCC2O)c1
InChIInChI=1S/C26H26F3N3O5/c1-15-2-3-18(31-25(35)22-12-17(4-6-30-22)26(27,28)29)13-20(15)16-10-21(19-5-8-36-14-23(19)34)32-24(11-16)37-9-7-33/h2-4,6,10-13,19,23,33-34H,5,7-9,14H2,1H3,(H,31,35)
InChIKeyXPUKUTBYZDFHBI-UHFFFAOYSA-N
MW517.50 g/mol
LogP3.96
Rot. Bonds7

About N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 135133415) has the molecular formula C26H26F3N3O5 and a molecular weight of 517.50 g/mol. Its IUPAC name is N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID135133415
Molecular FormulaC26H26F3N3O5
Molecular Weight517.50 g/mol
Exact Mass517.18
IUPAC NameN-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(OCCO)nc(C2CCOCC2O)c1
InChIInChI=1S/C26H26F3N3O5/c1-15-2-3-18(31-25(35)22-12-17(4-6-30-22)26(27,28)29)13-20(15)16-10-21(19-5-8-36-14-23(19)34)32-24(11-16)37-9-7-33/h2-4,6,10-13,19,23,33-34H,5,7-9,14H2,1H3,(H,31,35)
InChIKeyXPUKUTBYZDFHBI-UHFFFAOYSA-N
XLogP3.96
TPSA113.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.50
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-(2-hydroxyethoxy)-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167353170
[(2R)-2-hydroxy-3-[[4-[2-methyl-5-[[4-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]propyl] dihydrogen phosphate
CID 118938853
ditert-butyl [2-hydroxy-3-[[4-[2-methyl-5-[[4-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]propyl] phosphate
CID 118938871
N-[3-[2-(2-hydroxyethoxy)-6-[(6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-1-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167205617
2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609473
N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 171520632
2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609529
N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 130425780
2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609356
N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 162767272
N-[3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
CID 174041438
5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
CID 176803137

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 135133415) is N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(OCCO)nc(C2CCOCC2O)c1.
What is the InChIKey of N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XPUKUTBYZDFHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O5/c1-15-2-3-18(31-25(35)22-12-17(4-6-30-22)26(27,28)29)13-20(15)16-10-21(19-5-8-36-14-23(19)34)32-24(11-16)37-9-7-33/h2-4,6,10-13,19,23,33-34H,5,7-9,14H2,1H3,(H,31,35).
What are the key properties of N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 517.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 135133415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).