3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide

C25H24FN3O — CID 42801286

IUPAC3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCn1cc(C(CC(=O)NCc2cccnc2)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H24FN3O/c1-2-29-17-23(21-7-3-4-8-24(21)29)22(19-9-11-20(26)12-10-19)14-25(30)28-16-18-6-5-13-27-15-18/h3-13,15,17,22H,2,14,16H2,1H3,(H,28,30)
InChIKeyGLMOQIDICGHDIX-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.03
Rot. Bonds7

About 3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide

3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 42801286) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID42801286
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCn1cc(C(CC(=O)NCc2cccnc2)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H24FN3O/c1-2-29-17-23(21-7-3-4-8-24(21)29)22(19-9-11-20(26)12-10-19)14-25(30)28-16-18-6-5-13-27-15-18/h3-13,15,17,22H,2,14,16H2,1H3,(H,28,30)
InChIKeyGLMOQIDICGHDIX-UHFFFAOYSA-N
XLogP5.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 93110467
3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42801418
N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
CID 42801280
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
CID 93119937
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98443722
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3880798
(3S)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926938
(3R)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926939
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 42801286) is 3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide is CCn1cc(C(CC(=O)NCc2cccnc2)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is GLMOQIDICGHDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-2-29-17-23(21-7-3-4-8-24(21)29)22(19-9-11-20(26)12-10-19)14-25(30)28-16-18-6-5-13-27-15-18/h3-13,15,17,22H,2,14,16H2,1H3,(H,28,30).
What are the key properties of 3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide?
3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 401.49 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 42801286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).