N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide

C23H16F3N3O — CID 68870398

IUPACN-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(C(F)(F)F)cc1-c1cccnc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)18-5-3-15(20(13-18)17-2-1-10-27-14-17)4-8-22(30)29-19-6-7-21-16(12-19)9-11-28-21/h1-14,28H,(H,29,30)
InChIKeyUFTUBLLKTPZPSI-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.90
Rot. Bonds4

About N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide

N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 68870398) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID68870398
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC NameN-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(C(F)(F)F)cc1-c1cccnc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)18-5-3-15(20(13-18)17-2-1-10-27-14-17)4-8-22(30)29-19-6-7-21-16(12-19)9-11-28-21/h1-14,28H,(H,29,30)
InChIKeyUFTUBLLKTPZPSI-UHFFFAOYSA-N
XLogP5.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-5-yl)-4-pyridin-3-ylbenzamide
CID 59673715
1-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3-(1H-indol-5-yl)urea
CID 121264541
3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
CID 46834031
N-(1H-indol-5-yl)prop-2-enamide
CID 61251524
(E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide
CID 55729057
3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146621834
N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 110744977
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide
CID 166062953
N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 72581666
(E)-3-(2,4-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 2275096
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
CID 103732445

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide (CID 68870398) is N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide is O=C(C=Cc1ccc(C(F)(F)F)cc1-c1cccnc1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is UFTUBLLKTPZPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)18-5-3-15(20(13-18)17-2-1-10-27-14-17)4-8-22(30)29-19-6-7-21-16(12-19)9-11-28-21/h1-14,28H,(H,29,30).
What are the key properties of N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide?
N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 407.40 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 68870398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).