(E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

C24H26F3N3O2 — CID 11561366

IUPAC(E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C24H26F3N3O2/c25-24(26,27)21-11-8-17(23(29-21)30-13-2-1-3-14-30)9-12-22(32)28-20-6-4-5-16-7-10-18(31)15-19(16)20/h4-6,8-9,11-12,18,31H,1-3,7,10,13-15H2,(H,28,32)/b12-9+
InChIKeyYCDWBIUKUBHSKQ-FMIVXFBMSA-N
MW445.49 g/mol
LogP4.59
Rot. Bonds4

About (E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

(E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (PubChem CID 11561366) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is (E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
PubChem CID11561366
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name(E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C24H26F3N3O2/c25-24(26,27)21-11-8-17(23(29-21)30-13-2-1-3-14-30)9-12-22(32)28-20-6-4-5-16-7-10-18(31)15-19(16)20/h4-6,8-9,11-12,18,31H,1-3,7,10,13-15H2,(H,28,32)/b12-9+
InChIKeyYCDWBIUKUBHSKQ-FMIVXFBMSA-N
XLogP4.59
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.59
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-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (CID 11561366) is (E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cccc2c1CC(O)CC2.
What is the InChIKey of (E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The InChIKey is YCDWBIUKUBHSKQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c25-24(26,27)21-11-8-17(23(29-21)30-13-2-1-3-14-30)9-12-22(32)28-20-6-4-5-16-7-10-18(31)15-19(16)20/h4-6,8-9,11-12,18,31H,1-3,7,10,13-15H2,(H,28,32)/b12-9+.
What are the key properties of (E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
(E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 445.49 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 11561366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).