N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C26H23F3N4O3 — CID 134609472

IUPACN-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(C#N)CCOC1
InChIInChI=1S/C26H23F3N4O3/c1-3-36-24-22(25(14-30)7-8-35-15-25)10-18(12-32-24)21-11-20(13-31-16(21)2)33-23(34)17-5-4-6-19(9-17)26(27,28)29/h4-6,9-13H,3,7-8,15H2,1-2H3,(H,33,34)
InChIKeyNGZHIYQXRADWED-UHFFFAOYSA-N
MW496.49 g/mol
LogP5.30
Rot. Bonds6

About N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 134609472) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID134609472
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC NameN-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(C#N)CCOC1
InChIInChI=1S/C26H23F3N4O3/c1-3-36-24-22(25(14-30)7-8-35-15-25)10-18(12-32-24)21-11-20(13-31-16(21)2)33-23(34)17-5-4-6-19(9-17)26(27,28)29/h4-6,9-13H,3,7-8,15H2,1-2H3,(H,33,34)
InChIKeyNGZHIYQXRADWED-UHFFFAOYSA-N
XLogP5.30
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 162144460
N-[5-(6-but-3-ynoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 135390019
N-[5-[6-(ethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 166656717
N-[5-[6-(1,1-dihydroxythian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 118870900
N-[5-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90407965
N-[5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 154684237
N-[5-[6-[4-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]phenoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 146502149
N-[6-methyl-5-[5-morpholin-4-yl-6-[(2S,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxy-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 135390039
N-[5-[6-(4-deuterio-3-fluorooxan-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 90464871
N-[5-[5-(hydroxymethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 129271912
N-[5-(9-ethyl-8-oxo-14-oxa-1,6,9-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5-trien-4-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 129272369
2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[3-(hydroxymethyl)oxolan-3-yl]-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609425

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 134609472) is N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is CCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(C#N)CCOC1.
What is the InChIKey of N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NGZHIYQXRADWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c1-3-36-24-22(25(14-30)7-8-35-15-25)10-18(12-32-24)21-11-20(13-31-16(21)2)33-23(34)17-5-4-6-19(9-17)26(27,28)29/h4-6,9-13H,3,7-8,15H2,1-2H3,(H,33,34).
What are the key properties of N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 496.49 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 134609472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).