N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

C24H22F3N3O2 — CID 122655142

About N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (PubChem CID 122655142) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
• PubChem CID: 122655142
• Molecular Formula: C24H22F3N3O2
• Molecular Weight: 441.45 g/mol
• Exact Mass: 441.17
• IUPAC Name: N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
• SMILES: O=C(c1cccc2c1CCN2)N(CCO)c1cc(Cc2cccc(C(F)(F)F)c2)ccn1
• InChI: InChI=1S/C24H22F3N3O2/c25-24(26,27)18-4-1-3-16(14-18)13-17-7-9-29-22(15-17)30(11-12-31)23(32)20-5-2-6-21-19(20)8-10-28-21/h1-7,9,14-15,28,31H,8,10-13H2
• InChIKey: OUTUCGXMMMBUQO-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.45
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (CID 122655142) is N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is O=C(c1cccc2c1CCN2)N(CCO)c1cc(Cc2cccc(C(F)(F)F)c2)ccn1.

What is the InChIKey of N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?

The InChIKey is OUTUCGXMMMBUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c25-24(26,27)18-4-1-3-16(14-18)13-17-7-9-29-22(15-17)30(11-12-31)23(32)20-5-2-6-21-19(20)8-10-28-21/h1-7,9,14-15,28,31H,8,10-13H2.

What are the key properties of N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?

N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-N-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is sourced from PubChem (CID 122655142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).