6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C28H17F6N3O — CID 118414123

IUPAC6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(c1cccc(-c2ccc3[nH]ccc3c2)n1)N(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H17F6N3O/c29-27(30,31)19-5-9-21(10-6-19)37(22-11-7-20(8-12-22)28(32,33)34)26(38)25-3-1-2-24(36-25)17-4-13-23-18(16-17)14-15-35-23/h1-16,35H
InChIKeyDYVVSXREASEGGK-UHFFFAOYSA-N
MW525.45 g/mol
LogP8.25
Rot. Bonds4

About 6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 118414123) has the molecular formula C28H17F6N3O and a molecular weight of 525.45 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID118414123
Molecular FormulaC28H17F6N3O
Molecular Weight525.45 g/mol
Exact Mass525.13
IUPAC Name6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(c1cccc(-c2ccc3[nH]ccc3c2)n1)N(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H17F6N3O/c29-27(30,31)19-5-9-21(10-6-19)37(22-11-7-20(8-12-22)28(32,33)34)26(38)25-3-1-2-24(36-25)17-4-13-23-18(16-17)14-15-35-23/h1-16,35H
InChIKeyDYVVSXREASEGGK-UHFFFAOYSA-N
XLogP8.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.45
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90363615
5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole
CID 134329054
2-[4-(1H-indol-5-yl)phenyl]-2-methylpropanoic acid
CID 82039803
7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
CID 45484856
5-(4-tert-butylphenyl)-1H-indole
CID 16768580
3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid
CID 39220248
6-(1H-indol-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 155010351
2-aminoethyl N-[4-(3-chlorophenyl)pyrimidin-2-yl]-N-[4-(trifluoromethyl)phenyl]carbamate
CID 71051144
bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate
CID 143560686
2-hydroxy-6-(1H-indol-5-yl)benzoic acid
CID 174341729
5-[2-(1H-indol-5-yl)phenyl]-1H-indole
CID 102414263
N-[4-(3-chlorophenyl)pyrimidin-2-yl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71051089

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 118414123) is 6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(c1cccc(-c2ccc3[nH]ccc3c2)n1)N(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is DYVVSXREASEGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F6N3O/c29-27(30,31)19-5-9-21(10-6-19)37(22-11-7-20(8-12-22)28(32,33)34)26(38)25-3-1-2-24(36-25)17-4-13-23-18(16-17)14-15-35-23/h1-16,35H.
What are the key properties of 6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 525.45 g/mol, XLogP of 8.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118414123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).