(E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide

C17H18N2O3 — CID 27009996

IUPAC(E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)cn1
InChIInChI=1S/C17H18N2O3/c1-11-9-14(11)15-6-4-13(22-15)5-7-16(20)19-12-3-8-17(21-2)18-10-12/h3-8,10-11,14H,9H2,1-2H3,(H,19,20)/b7-5+/t11-,14+/m0/s1
InChIKeyGOWXSTUZGSWIQF-OPCVDXRUSA-N
MW298.34 g/mol
LogP3.46
Rot. Bonds5

About (E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide

(E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide (PubChem CID 27009996) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
PubChem CID27009996
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)cn1
InChIInChI=1S/C17H18N2O3/c1-11-9-14(11)15-6-4-13(22-15)5-7-16(20)19-12-3-8-17(21-2)18-10-12/h3-8,10-11,14H,9H2,1-2H3,(H,19,20)/b7-5+/t11-,14+/m0/s1
InChIKeyGOWXSTUZGSWIQF-OPCVDXRUSA-N
XLogP3.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide with MolForge

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Related Compounds

(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 34444534
(E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43016428
(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2547662
(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 75403812
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
(Z)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129421507
(E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 27017551
(E)-3-(3,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 162395253
(E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 18277233
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
CID 77012974
(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 26515812

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide (CID 27009996) is (E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)cn1.
What is the InChIKey of (E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The InChIKey is GOWXSTUZGSWIQF-OPCVDXRUSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-9-14(11)15-6-4-13(22-15)5-7-16(20)19-12-3-8-17(21-2)18-10-12/h3-8,10-11,14H,9H2,1-2H3,(H,19,20)/b7-5+/t11-,14+/m0/s1.
What are the key properties of (E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
(E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide has a molecular weight of 298.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 27009996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).