2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C19H19F3N4O — CID 46423302

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H19F3N4O/c1-12-15(14-4-2-3-5-16(14)26-12)10-18(27)24-9-8-23-17-7-6-13(11-25-17)19(20,21)22/h2-7,11,26H,8-10H2,1H3,(H,23,25)(H,24,27)
InChIKeyUTPSHQJBJXXYIQ-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.66
Rot. Bonds6

About 2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 46423302) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID46423302
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H19F3N4O/c1-12-15(14-4-2-3-5-16(14)26-12)10-18(27)24-9-8-23-17-7-6-13(11-25-17)19(20,21)22/h2-7,11,26H,8-10H2,1H3,(H,23,25)(H,24,27)
InChIKeyUTPSHQJBJXXYIQ-UHFFFAOYSA-N
XLogP3.66
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55617876
2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423192
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 103772449
2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide
CID 90653269
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31956483
4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 55617594
2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51122329
2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137200070
[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 134405482

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 46423302) is 2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is UTPSHQJBJXXYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-12-15(14-4-2-3-5-16(14)26-12)10-18(27)24-9-8-23-17-7-6-13(11-25-17)19(20,21)22/h2-7,11,26H,8-10H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 376.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 46423302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).