(E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide

C13H12N2O3 — CID 2254887

IUPAC(E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccco2)cn1
InChIInChI=1S/C13H12N2O3/c1-17-13-7-4-10(9-14-13)15-12(16)6-5-11-3-2-8-18-11/h2-9H,1H3,(H,15,16)/b6-5+
InChIKeyMOJCAEZDVJTTAW-AATRIKPKSA-N
MW244.25 g/mol
LogP2.34
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide (PubChem CID 2254887) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
PubChem CID2254887
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccco2)cn1
InChIInChI=1S/C13H12N2O3/c1-17-13-7-4-10(9-14-13)15-12(16)6-5-11-3-2-8-18-11/h2-9H,1H3,(H,15,16)/b6-5+
InChIKeyMOJCAEZDVJTTAW-AATRIKPKSA-N
XLogP2.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide
CID 6865077
N-(4-Ethoxyphenyl)picolinamide
CID 904031
N-(6-methoxypyridin-3-yl)acetamide
CID 2755701
N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 841630
(E)-N-(2-chloropyridin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 667889
N-[6-(pentanoylamino)pyridin-3-yl]furan-2-carboxamide
CID 3213149
N-(6-methoxypyridin-3-yl)furan-2-carboxamide
CID 4780428
N'-[(1E,2Z)-3-(furan-2-yl)prop-2-en-1-ylidene]pyridine-2-carbohydrazide
CID 6865075
Pyridine-2-carboxylic acid (5-methyl-furan-2-ylmethylene)-hydrazide
CID 6879309
1-{2-[(2E)-2-(2-furylmethylene)hydrazino]-2-oxoethyl}pyridinium
CID 16833482
2-Furancarboxamide, N-3-pyridinyl-
CID 148023
3-Furan-2-yl-N-pyridin-2-yl-acrylamide
CID 839823

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide (CID 2254887) is (E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccco2)cn1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The InChIKey is MOJCAEZDVJTTAW-AATRIKPKSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-13-7-4-10(9-14-13)15-12(16)6-5-11-3-2-8-18-11/h2-9H,1H3,(H,15,16)/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide has a molecular weight of 244.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 2254887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).