6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide

C24H20F3N3O3 — CID 118413913

IUPAC6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)cc(C(O)CO)n1
InChIInChI=1S/C24H20F3N3O3/c25-24(26,27)18-4-1-14(2-5-18)12-30-8-7-16-9-15(3-6-21(16)30)17-10-19(22(32)13-31)29-20(11-17)23(28)33/h1-11,22,31-32H,12-13H2,(H2,28,33)
InChIKeyATVLYYYDHIEKOV-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.89
Rot. Bonds6

About 6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide

6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide (PubChem CID 118413913) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is 6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide
PubChem CID118413913
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)cc(C(O)CO)n1
InChIInChI=1S/C24H20F3N3O3/c25-24(26,27)18-4-1-14(2-5-18)12-30-8-7-16-9-15(3-6-21(16)30)17-10-19(22(32)13-31)29-20(11-17)23(28)33/h1-11,22,31-32H,12-13H2,(H2,28,33)
InChIKeyATVLYYYDHIEKOV-UHFFFAOYSA-N
XLogP3.89
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide (CID 118413913) is 6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)cc(C(O)CO)n1.
What is the InChIKey of 6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide?
The InChIKey is ATVLYYYDHIEKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c25-24(26,27)18-4-1-14(2-5-18)12-30-8-7-16-9-15(3-6-21(16)30)17-10-19(22(32)13-31)29-20(11-17)23(28)33/h1-11,22,31-32H,12-13H2,(H2,28,33).
What are the key properties of 6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide?
6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dihydroxyethyl)-4-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118413913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).