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

C26H21N3O4 — CID 103599539

IUPACN-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide
SMILESO=C(Nc1cccc(OCc2cccnc2)c1)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C26H21N3O4/c30-25(20-8-2-1-3-9-20)29-24(16-23-12-6-14-32-23)26(31)28-21-10-4-11-22(15-21)33-18-19-7-5-13-27-17-19/h1-17H,18H2,(H,28,31)(H,29,30)
InChIKeyQBQNDQLFXQMMHN-UHFFFAOYSA-N
MW439.47 g/mol
LogP4.66
Rot. Bonds8

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

N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide (PubChem CID 103599539) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide
PubChem CID103599539
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC NameN-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide
SMILESO=C(Nc1cccc(OCc2cccnc2)c1)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C26H21N3O4/c30-25(20-8-2-1-3-9-20)29-24(16-23-12-6-14-32-23)26(31)28-21-10-4-11-22(15-21)33-18-19-7-5-13-27-17-19/h1-17H,18H2,(H,28,31)(H,29,30)
InChIKeyQBQNDQLFXQMMHN-UHFFFAOYSA-N
XLogP4.66
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 675144
N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide
CID 76532197
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]anilino]prop-1-en-2-yl]benzamide
CID 22787632
N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229
N-[(Z)-3-(4-ethoxy-3-methoxyanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942231
N-[1-(furan-2-yl)-3-(1H-indazol-5-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 1128741
N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942665
N-[(Z)-1-(furan-2-yl)-3-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19310885
ethyl (E)-4-[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylbut-2-enoate
CID 19300657
N-[3-(2-pyridin-3-ylethoxy)phenyl]furan-2-carboxamide
CID 75457531
N-[(Z)-1-(furan-2-yl)-3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942202
N-[(Z)-3-[3-(3,5-dimethylpyrazol-1-yl)anilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942382

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide?
The IUPAC name of N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide (CID 103599539) is N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide is O=C(Nc1cccc(OCc2cccnc2)c1)C(=Cc1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide?
The InChIKey is QBQNDQLFXQMMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c30-25(20-8-2-1-3-9-20)29-24(16-23-12-6-14-32-23)26(31)28-21-10-4-11-22(15-21)33-18-19-7-5-13-27-17-19/h1-17H,18H2,(H,28,31)(H,29,30).
What are the key properties of N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide?
N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide has a molecular weight of 439.47 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide is sourced from PubChem (CID 103599539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).