3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide

C16H14N4O5 — CID 54287634

IUPAC3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NN=CC=Cc2ccc([N+](=O)[O-])o2)cn1
InChIInChI=1S/C16H14N4O5/c1-24-15-8-5-12(11-17-15)4-7-14(21)19-18-10-2-3-13-6-9-16(25-13)20(22)23/h2-11H,1H3,(H,19,21)
InChIKeyRVGUEIOTUDVWNZ-UHFFFAOYSA-N
MW342.31 g/mol
LogP2.42
Rot. Bonds7

About 3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide

3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide (PubChem CID 54287634) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide
PubChem CID54287634
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC Name3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NN=CC=Cc2ccc([N+](=O)[O-])o2)cn1
InChIInChI=1S/C16H14N4O5/c1-24-15-8-5-12(11-17-15)4-7-14(21)19-18-10-2-3-13-6-9-16(25-13)20(22)23/h2-11H,1H3,(H,19,21)
InChIKeyRVGUEIOTUDVWNZ-UHFFFAOYSA-N
XLogP2.42
TPSA119.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]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

Related Compounds

N'-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide
CID 23424395
5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]furan-2-carboxamide
CID 23424385
bis(N'-ethyl-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]carbamimidothioate);palladium(2+)
CID 11982845
N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide
CID 6146777
(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 26515812
(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 8935851
N-(6-methoxy-3-pyridinyl)-5-nitrofuran-2-carboxamide
CID 51143054
N-(3,4-dimethoxyphenyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 1223760
(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-one
CID 90890451
(E)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]non-2-enamide
CID 24840585
2-[(4-chlorophenyl)carbamoylamino]-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]acetamide
CID 71086661
4-hydroxy-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-1-oxo-2H-isoquinoline-3-carboxamide
CID 71086640

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide (CID 54287634) is 3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide is COc1ccc(C=CC(=O)NN=CC=Cc2ccc([N+](=O)[O-])o2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide?
The InChIKey is RVGUEIOTUDVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-24-15-8-5-12(11-17-15)4-7-14(21)19-18-10-2-3-13-6-9-16(25-13)20(22)23/h2-11H,1H3,(H,19,21).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide?
3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide has a molecular weight of 342.31 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]prop-2-enamide is sourced from PubChem (CID 54287634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).