N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide

C20H14F3N3O3 — CID 2941949

IUPACN-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cccnc1)NC(=O)c1ccco1
InChIInChI=1S/C20H14F3N3O3/c21-20(22,23)14-5-1-6-15(11-14)25-18(27)16(10-13-4-2-8-24-12-13)26-19(28)17-7-3-9-29-17/h1-12H,(H,25,27)(H,26,28)
InChIKeyAXRCQVOEAOWZPI-UHFFFAOYSA-N
MW401.34 g/mol
LogP4.10
Rot. Bonds5

About N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide

N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide (PubChem CID 2941949) has the molecular formula C20H14F3N3O3 and a molecular weight of 401.34 g/mol. Its IUPAC name is N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
PubChem CID2941949
Molecular FormulaC20H14F3N3O3
Molecular Weight401.34 g/mol
Exact Mass401.10
IUPAC NameN-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cccnc1)NC(=O)c1ccco1
InChIInChI=1S/C20H14F3N3O3/c21-20(22,23)14-5-1-6-15(11-14)25-18(27)16(10-13-4-2-8-24-12-13)26-19(28)17-7-3-9-29-17/h1-12H,(H,25,27)(H,26,28)
InChIKeyAXRCQVOEAOWZPI-UHFFFAOYSA-N
XLogP4.10
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 54.10
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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Related Compounds

N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
CID 1320934
N-[(Z)-3-oxo-3-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylanilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 19312293
N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2945780
N-[(E)-1-(4-bromophenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5441805
3-bromo-N-[(E)-3-(3-bromoanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 6109314
N-(3-oxo-1-pyridin-3-yl-3-pyrrolidin-1-ylprop-1-en-2-yl)furan-2-carboxamide
CID 2908322
methyl 3-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]benzoate
CID 1371882
N-[(E)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5331919
N-[(Z)-3-[3-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylanilino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 19312319
2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]propanamide
CID 18859818
N-[(E)-3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5442602
N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide
CID 103599539

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide (CID 2941949) is N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cccnc1)NC(=O)c1ccco1.
What is the InChIKey of N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is AXRCQVOEAOWZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3/c21-20(22,23)14-5-1-6-15(11-14)25-18(27)16(10-13-4-2-8-24-12-13)26-19(28)17-7-3-9-29-17/h1-12H,(H,25,27)(H,26,28).
What are the key properties of N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide?
N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 401.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2941949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).