N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide

C23H21F3N4O2 — CID 70284073

IUPACN-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCN(C(=O)c1cc2c(cc1C(F)(F)F)NCC2)c1ccc(OCCc2ccccn2)nc1
InChIInChI=1S/C23H21F3N4O2/c1-30(17-5-6-21(29-14-17)32-11-8-16-4-2-3-9-27-16)22(31)18-12-15-7-10-28-20(15)13-19(18)23(24,25)26/h2-6,9,12-14,28H,7-8,10-11H2,1H3
InChIKeyBHLFNVYSXJXBDJ-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.36
Rot. Bonds6

About N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide

N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 70284073) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID70284073
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCN(C(=O)c1cc2c(cc1C(F)(F)F)NCC2)c1ccc(OCCc2ccccn2)nc1
InChIInChI=1S/C23H21F3N4O2/c1-30(17-5-6-21(29-14-17)32-11-8-16-4-2-3-9-27-16)22(31)18-12-15-7-10-28-20(15)13-19(18)23(24,25)26/h2-6,9,12-14,28H,7-8,10-11H2,1H3
InChIKeyBHLFNVYSXJXBDJ-UHFFFAOYSA-N
XLogP4.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-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 N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 70284073) is N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide is CN(C(=O)c1cc2c(cc1C(F)(F)F)NCC2)c1ccc(OCCc2ccccn2)nc1.
What is the InChIKey of N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is BHLFNVYSXJXBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-30(17-5-6-21(29-14-17)32-11-8-16-4-2-3-9-27-16)22(31)18-12-15-7-10-28-20(15)13-19(18)23(24,25)26/h2-6,9,12-14,28H,7-8,10-11H2,1H3.
What are the key properties of N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 70284073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).