N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

C24H22F3N3O2 — CID 122653730

IUPACN-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)18-4-1-3-16(14-18)13-17-7-9-28-22(15-17)30-11-8-19-20(5-2-6-21(19)30)23(32)29-10-12-31/h1-7,9,14-15,31H,8,10-13H2,(H,29,32)
InChIKeyPWFRKFVFXTYALZ-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.11
Rot. Bonds6

About N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653730) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653730
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)18-4-1-3-16(14-18)13-17-7-9-28-22(15-17)30-11-8-19-20(5-2-6-21(19)30)23(32)29-10-12-31/h1-7,9,14-15,31H,8,10-13H2,(H,29,32)
InChIKeyPWFRKFVFXTYALZ-UHFFFAOYSA-N
XLogP4.11
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296699
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CID 132067922
N-[3-[6-(3-pyrrolidin-1-ylpropylamino)-3-pyridinyl]phenyl]benzamide
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4-(Benzylamino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyridine-3-carboxamide
CID 137348875
3-(2-fluoroanilino)-2-(5-methylpyridin-2-yl)-3H-isoindol-1-one
CID 5308743
4-methyl-3-(2-oxospiro[1H-indole-3,1'-cyclopentane]-6-yl)-N-pyridin-2-ylbenzamide
CID 44251298
N-(4'-{[(Cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)-2-pyrrolidin-1-ylisonicotinamide
CID 44578672
1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 46909508
3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 46942855
1-(2,6-Dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea
CID 67135489
1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67283393
1-(4-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653730) is N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is PWFRKFVFXTYALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c25-24(26,27)18-4-1-3-16(14-18)13-17-7-9-28-22(15-17)30-11-8-19-20(5-2-6-21(19)30)23(32)29-10-12-31/h1-7,9,14-15,31H,8,10-13H2,(H,29,32).
What are the key properties of N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).