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

C26H23F3N4O4 — CID 58578210

IUPAC6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)N(c1cccc(OC(F)(F)F)c1)C2)c1cccc(CN2CCOCC2)n1
InChIInChI=1S/C26H23F3N4O4/c27-26(28,29)37-20-7-3-6-19(14-20)33-15-17-4-1-8-21(23(17)25(33)35)31-24(34)22-9-2-5-18(30-22)16-32-10-12-36-13-11-32/h1-9,14H,10-13,15-16H2,(H,31,34)
InChIKeyVDBNGDPWKXRQHX-UHFFFAOYSA-N
MW512.49 g/mol
LogP4.23
Rot. Bonds6

About 6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide

6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide (PubChem CID 58578210) has the molecular formula C26H23F3N4O4 and a molecular weight of 512.49 g/mol. Its IUPAC name is 6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide
PubChem CID58578210
Molecular FormulaC26H23F3N4O4
Molecular Weight512.49 g/mol
Exact Mass512.17
IUPAC Name6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)N(c1cccc(OC(F)(F)F)c1)C2)c1cccc(CN2CCOCC2)n1
InChIInChI=1S/C26H23F3N4O4/c27-26(28,29)37-20-7-3-6-19(14-20)33-15-17-4-1-8-21(23(17)25(33)35)31-24(34)22-9-2-5-18(30-22)16-32-10-12-36-13-11-32/h1-9,14H,10-13,15-16H2,(H,31,34)
InChIKeyVDBNGDPWKXRQHX-UHFFFAOYSA-N
XLogP4.23
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide (CID 58578210) is 6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide is O=C(Nc1cccc2c1C(=O)N(c1cccc(OC(F)(F)F)c1)C2)c1cccc(CN2CCOCC2)n1.
What is the InChIKey of 6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide?
The InChIKey is VDBNGDPWKXRQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O4/c27-26(28,29)37-20-7-3-6-19(14-20)33-15-17-4-1-8-21(23(17)25(33)35)31-24(34)22-9-2-5-18(30-22)16-32-10-12-36-13-11-32/h1-9,14H,10-13,15-16H2,(H,31,34).
What are the key properties of 6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide?
6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide has a molecular weight of 512.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58578210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).