5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide

C26H23F3N4O3 — CID 46849577

IUPAC5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2)c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)19-4-2-5-20(13-19)33-16-18-3-1-6-21(23(18)25(33)35)31-24(34)22-8-7-17(14-30-22)15-32-9-11-36-12-10-32/h1-8,13-14H,9-12,15-16H2,(H,31,34)
InChIKeyZNOUBFNPXYRPSR-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.35
Rot. Bonds5

About 5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide

5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide (PubChem CID 46849577) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide
PubChem CID46849577
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC Name5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2)c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)19-4-2-5-20(13-19)33-16-18-3-1-6-21(23(18)25(33)35)31-24(34)22-8-7-17(14-30-22)15-32-9-11-36-12-10-32/h1-8,13-14H,9-12,15-16H2,(H,31,34)
InChIKeyZNOUBFNPXYRPSR-UHFFFAOYSA-N
XLogP4.35
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide
CID 58578211
N-[1-oxo-2-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-8-yl]pyrazine-2-carboxamide
CID 67425149
8-amino-2-[3-(trifluoromethyl)phenyl]phthalazin-1-one;6-(morpholin-4-ylmethyl)-N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyridine-2-carboxamide
CID 159204954
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184877
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 68509262
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 89033948
N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162620968
N-(2-morpholin-4-ylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3717651
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86917906

Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide (CID 46849577) is 5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide is O=C(Nc1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2)c1ccc(CN2CCOCC2)cn1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide?
The InChIKey is ZNOUBFNPXYRPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c27-26(28,29)19-4-2-5-20(13-19)33-16-18-3-1-6-21(23(18)25(33)35)31-24(34)22-8-7-17(14-30-22)15-32-9-11-36-12-10-32/h1-8,13-14H,9-12,15-16H2,(H,31,34).
What are the key properties of 5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide?
5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 46849577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).