(E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide

C19H15N3O4 — CID 2165557

IUPAC(E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc(NC(=O)/C=C/c2ccco2)n1
InChIInChI=1S/C19H15N3O4/c23-18(10-8-14-4-2-12-25-14)21-16-6-1-7-17(20-16)22-19(24)11-9-15-5-3-13-26-15/h1-13H,(H2,20,21,22,23,24)/b10-8+,11-9+
InChIKeyYUFJMFXVUUMVCA-GFULKKFKSA-N
MW349.35 g/mol
LogP3.57
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide (PubChem CID 2165557) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
PubChem CID2165557
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name(E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc(NC(=O)/C=C/c2ccco2)n1
InChIInChI=1S/C19H15N3O4/c23-18(10-8-14-4-2-12-25-14)21-16-6-1-7-17(20-16)22-19(24)11-9-15-5-3-13-26-15/h1-13H,(H2,20,21,22,23,24)/b10-8+,11-9+
InChIKeyYUFJMFXVUUMVCA-GFULKKFKSA-N
XLogP3.57
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide with MolForge

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Related Compounds

N,N'-2,6-pyridinediylbis(5-methyl-2-furamide)
CID 897337
3-Furan-2-yl-N-pyridin-2-yl-acrylamide
CID 839823
3-(2-furyl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 898228
(E)-3-(furan-2-yl)-N-[(6-methylpyridin-2-yl)carbamothioyl]prop-2-enamide
CID 884777
N-[[6-(furan-2-carbonylcarbamothioylamino)-2-pyridinyl]carbamothioyl]furan-2-carboxamide
CID 2382030
5-bromo-N-[6-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-pyridinyl]-2-furancarboxamide
CID 3236147
(E)-3-(furan-2-yl)-N,N-dipyridin-2-ylprop-2-enamide
CID 5666777
N-[6-(2-furoylamino)-2-pyridinyl]-2-furamide
CID 784566
2-methyl-N-(6-methylpyridin-2-yl)furan-3-carboxamide
CID 1223765
1-((E)-3-Furan-2-yl-acryloyl)-3-pyridin-2-yl-thiourea
CID 951354
N-[2-(furan-2-yl)ethyl]pyridin-2-amine
CID 44410159
2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide
CID 162661860

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide (CID 2165557) is (E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide is O=C(/C=C/c1ccco1)Nc1cccc(NC(=O)/C=C/c2ccco2)n1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The InChIKey is YUFJMFXVUUMVCA-GFULKKFKSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-18(10-8-14-4-2-12-25-14)21-16-6-1-7-17(20-16)22-19(24)11-9-15-5-3-13-26-15/h1-13H,(H2,20,21,22,23,24)/b10-8+,11-9+.
What are the key properties of (E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide has a molecular weight of 349.35 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 2165557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).