N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

About N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (PubChem CID 122654896) has the molecular formula C25H23F4N3O3 and a molecular weight of 489.47 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.

Molecular Properties

Compound Name	N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
PubChem CID	122654896
Molecular Formula	C25H23F4N3O3
Molecular Weight	489.47 g/mol
Exact Mass	489.17
IUPAC Name	N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILES	O=C(c1cccc2c1CCN2)N(C[C@@H](O)CO)c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ccn1
InChI	InChI=1S/C25H23F4N3O3/c26-18-10-16(9-17(12-18)25(27,28)29)8-15-4-6-31-23(11-15)32(13-19(34)14-33)24(35)21-2-1-3-22-20(21)5-7-30-22/h1-4,6,9-12,19,30,33-34H,5,7-8,13-14H2/t19-/m1/s1
InChIKey	ICEIJXSWLCSYFA-LJQANCHMSA-N
XLogP	3.80
TPSA	85.69 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.47
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?

The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (CID 122654896) is N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.

What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?

The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is O=C(c1cccc2c1CCN2)N(C[C@@H](O)CO)c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ccn1.

What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?

The InChIKey is ICEIJXSWLCSYFA-LJQANCHMSA-N. The full InChI is InChI=1S/C25H23F4N3O3/c26-18-10-16(9-17(12-18)25(27,28)29)8-15-4-6-31-23(11-15)32(13-19(34)14-33)24(35)21-2-1-3-22-20(21)5-7-30-22/h1-4,6,9-12,19,30,33-34H,5,7-8,13-14H2/t19-/m1/s1.

What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?

N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide has a molecular weight of 489.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2,3-dihydroxypropyl]-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is sourced from PubChem (CID 122654896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).