N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide

C20H20F3N3O2 — CID 143988221

IUPACN-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESC=Cc1cc(NC(=O)C(NC)C(O)c2ccc(C(F)(F)F)cc2)cnc1C=C
InChIInChI=1S/C20H20F3N3O2/c1-4-12-10-15(11-25-16(12)5-2)26-19(28)17(24-3)18(27)13-6-8-14(9-7-13)20(21,22)23/h4-11,17-18,24,27H,1-2H2,3H3,(H,26,28)
InChIKeySILULFZUWXYZGZ-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.65
Rot. Bonds7

About N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide

N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 143988221) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID143988221
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESC=Cc1cc(NC(=O)C(NC)C(O)c2ccc(C(F)(F)F)cc2)cnc1C=C
InChIInChI=1S/C20H20F3N3O2/c1-4-12-10-15(11-25-16(12)5-2)26-19(28)17(24-3)18(27)13-6-8-14(9-7-13)20(21,22)23/h4-11,17-18,24,27H,1-2H2,3H3,(H,26,28)
InChIKeySILULFZUWXYZGZ-UHFFFAOYSA-N
XLogP3.65
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide (CID 143988221) is N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide is C=Cc1cc(NC(=O)C(NC)C(O)c2ccc(C(F)(F)F)cc2)cnc1C=C.
What is the InChIKey of N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SILULFZUWXYZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-4-12-10-15(11-25-16(12)5-2)26-19(28)17(24-3)18(27)13-6-8-14(9-7-13)20(21,22)23/h4-11,17-18,24,27H,1-2H2,3H3,(H,26,28).
What are the key properties of N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 391.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 143988221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).