5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C18H18F3N3O — CID 10593918

IUPAC5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCC(C)c1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C18H18F3N3O/c1-11(2)14-8-12-5-7-24(16(12)9-15(14)18(19,20)21)17(25)23-13-4-3-6-22-10-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,23,25)
InChIKeyOAUHUDOIVTUQCC-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.82
Rot. Bonds2

About 5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10593918) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10593918
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCC(C)c1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C18H18F3N3O/c1-11(2)14-8-12-5-7-24(16(12)9-15(14)18(19,20)21)17(25)23-13-4-3-6-22-10-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,23,25)
InChIKeyOAUHUDOIVTUQCC-UHFFFAOYSA-N
XLogP4.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

SB 221284
CID 443389
N-(pyridin-3-yl)indoline-1-carboxamide
CID 10823903
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CID 11539442
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(5-methylpyridin-3-yl)piperazine-1-carboxamide
CID 11539737
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-methylpyridin-3-yl)piperazine-1-carboxamide
CID 11690220
1,3-diethyl-5-[2-(3-methylphenyl)pyridin-3-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647076
2-(3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide
CID 2738281
1-(2,3-Dimethylphenyl)-3-pyridin-3-ylurea
CID 18101887
Lopac-S-0568
CID 6603998
3-(2-{4-[1-(4-Fluoro-phenyl)-6-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1,1-dimethyl-urea
CID 10025272
1-(2-{4-[1-(4-Fluoro-phenyl)-6-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-3-isopropyl-urea
CID 10365753
6-Chloro-5-isopropyl-1-(3-pyridylcarbamoyl)indoline
CID 10495578

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10593918) is 5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is CC(C)c1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2.
What is the InChIKey of 5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is OAUHUDOIVTUQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c1-11(2)14-8-12-5-7-24(16(12)9-15(14)18(19,20)21)17(25)23-13-4-3-6-22-10-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,23,25).
What are the key properties of 5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10593918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).