4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide

C21H22F3N3O2 — CID 67290823

IUPAC4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
SMILESCC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C21H22F3N3O2/c1-14(18-10-9-16(12-26-18)29-13-21(22,23)24)27-20(28)8-4-5-15-11-25-19-7-3-2-6-17(15)19/h2-3,6-7,9-12,14,25H,4-5,8,13H2,1H3,(H,27,28)
InChIKeyHSZGMDYIJMEJKT-UHFFFAOYSA-N
MW405.42 g/mol
LogP4.70
Rot. Bonds8

About 4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide

4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide (PubChem CID 67290823) has the molecular formula C21H22F3N3O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
PubChem CID67290823
Molecular FormulaC21H22F3N3O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC Name4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
SMILESCC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C21H22F3N3O2/c1-14(18-10-9-16(12-26-18)29-13-21(22,23)24)27-20(28)8-4-5-15-11-25-19-7-3-2-6-17(15)19/h2-3,6-7,9-12,14,25H,4-5,8,13H2,1H3,(H,27,28)
InChIKeyHSZGMDYIJMEJKT-UHFFFAOYSA-N
XLogP4.70
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-2-enamide
CID 67290430
2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 74819881
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
3-(6-fluoro-1H-indol-3-yl)-N-[1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]propanamide
CID 118497776
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 87341437
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
2-(3-cyano-1H-indol-6-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610330
2-(4-isoquinolin-4-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610201
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
2-(4-phenoxyphenoxy)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290582
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
2-[4-(3-cyclopropylindazol-1-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610137

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide (CID 67290823) is 4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide is CC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
The InChIKey is HSZGMDYIJMEJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2/c1-14(18-10-9-16(12-26-18)29-13-21(22,23)24)27-20(28)8-4-5-15-11-25-19-7-3-2-6-17(15)19/h2-3,6-7,9-12,14,25H,4-5,8,13H2,1H3,(H,27,28).
What are the key properties of 4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide?
4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide has a molecular weight of 405.42 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide is sourced from PubChem (CID 67290823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).