(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide

C19H20F3N3O2 — CID 51938691

IUPAC(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide
SMILESC[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCNc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C19H20F3N3O2/c1-12-10-15(12)16-5-3-14(27-16)4-7-18(26)24-9-8-23-17-6-2-13(11-25-17)19(20,21)22/h2-7,11-12,15H,8-10H2,1H3,(H,23,25)(H,24,26)/b7-4+/t12-,15-/m1/s1
InChIKeySAFANHMHZUUXOU-NJKKUKIKSA-N
MW379.38 g/mol
LogP4.06
Rot. Bonds7

About (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide

(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide (PubChem CID 51938691) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide
PubChem CID51938691
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide
SMILESC[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCNc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C19H20F3N3O2/c1-12-10-15(12)16-5-3-14(27-16)4-7-18(26)24-9-8-23-17-6-2-13(11-25-17)19(20,21)22/h2-7,11-12,15H,8-10H2,1H3,(H,23,25)(H,24,26)/b7-4+/t12-,15-/m1/s1
InChIKeySAFANHMHZUUXOU-NJKKUKIKSA-N
XLogP4.06
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide (CID 51938691) is (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide is C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCNc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide?
The InChIKey is SAFANHMHZUUXOU-NJKKUKIKSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-12-10-15(12)16-5-3-14(27-16)4-7-18(26)24-9-8-23-17-6-2-13(11-25-17)19(20,21)22/h2-7,11-12,15H,8-10H2,1H3,(H,23,25)(H,24,26)/b7-4+/t12-,15-/m1/s1.
What are the key properties of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide?
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide has a molecular weight of 379.38 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 51938691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).