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

C21H14F3N3O2 — CID 58578211

IUPACN-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2)c1cccnc1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)15-6-2-7-16(10-15)27-12-14-4-1-8-17(18(14)20(27)29)26-19(28)13-5-3-9-25-11-13/h1-11H,12H2,(H,26,28)
InChIKeyMGVFSRBPYUMBJT-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.51
Rot. Bonds3

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

N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide (PubChem CID 58578211) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide
PubChem CID58578211
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC NameN-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2)c1cccnc1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)15-6-2-7-16(10-15)27-12-14-4-1-8-17(18(14)20(27)29)26-19(28)13-5-3-9-25-11-13/h1-11H,12H2,(H,26,28)
InChIKeyMGVFSRBPYUMBJT-UHFFFAOYSA-N
XLogP4.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-oxo-2-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-8-yl]pyrazine-2-carboxamide
CID 67425149
5-(morpholin-4-ylmethyl)-N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-2-carboxamide
CID 46849577
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 3042222
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 118693814
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 30766061
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4836895
N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 171502365

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide (CID 58578211) is N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide is O=C(Nc1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2)c1cccnc1.
What is the InChIKey of N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide?
The InChIKey is MGVFSRBPYUMBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c22-21(23,24)15-6-2-7-16(10-15)27-12-14-4-1-8-17(18(14)20(27)29)26-19(28)13-5-3-9-25-11-13/h1-11H,12H2,(H,26,28).
What are the key properties of N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide?
N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 58578211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).