(E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

C19H19F3N4O — CID 70966483

IUPAC(E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
SMILESCN(C)c1nc(C(F)(F)F)ccc1/C=C/C(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C19H19F3N4O/c1-26(2)18-12(3-7-16(25-18)19(20,21)22)4-8-17(27)24-14-5-6-15-13(11-14)9-10-23-15/h3-8,11,23H,9-10H2,1-2H3,(H,24,27)/b8-4+
InChIKeyNSHITRSCFHJHRK-XBXARRHUSA-N
MW376.38 g/mol
LogP3.79
Rot. Bonds4

About (E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

(E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (PubChem CID 70966483) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
PubChem CID70966483
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name(E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
SMILESCN(C)c1nc(C(F)(F)F)ccc1/C=C/C(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C19H19F3N4O/c1-26(2)18-12(3-7-16(25-18)19(20,21)22)4-8-17(27)24-14-5-6-15-13(11-14)9-10-23-15/h3-8,11,23H,9-10H2,1-2H3,(H,24,27)/b8-4+
InChIKeyNSHITRSCFHJHRK-XBXARRHUSA-N
XLogP3.79
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (CID 70966483) is (E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is CN(C)c1nc(C(F)(F)F)ccc1/C=C/C(=O)Nc1ccc2c(c1)CCN2.
What is the InChIKey of (E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The InChIKey is NSHITRSCFHJHRK-XBXARRHUSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-26(2)18-12(3-7-16(25-18)19(20,21)22)4-8-17(27)24-14-5-6-15-13(11-14)9-10-23-15/h3-8,11,23H,9-10H2,1-2H3,(H,24,27)/b8-4+.
What are the key properties of (E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
(E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 376.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 70966483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).