(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C18H20N2O3 — CID 75403812

IUPAC(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCCn1cc(NC(=O)/C=C/c2ccc(C3CC3C)o2)ccc1=O
InChIInChI=1S/C18H20N2O3/c1-3-20-11-13(4-9-18(20)22)19-17(21)8-6-14-5-7-16(23-14)15-10-12(15)2/h4-9,11-12,15H,3,10H2,1-2H3,(H,19,21)/b8-6+
InChIKeyXDSXPSYRGKCHAO-SOFGYWHQSA-N
MW312.37 g/mol
LogP3.24
Rot. Bonds5

About (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 75403812) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID75403812
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCCn1cc(NC(=O)/C=C/c2ccc(C3CC3C)o2)ccc1=O
InChIInChI=1S/C18H20N2O3/c1-3-20-11-13(4-9-18(20)22)19-17(21)8-6-14-5-7-16(23-14)15-10-12(15)2/h4-9,11-12,15H,3,10H2,1-2H3,(H,19,21)/b8-6+
InChIKeyXDSXPSYRGKCHAO-SOFGYWHQSA-N
XLogP3.24
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.24
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

(E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43016428
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
(E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 27009996
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 34444534
(E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide
CID 47048971
(E)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 104927612
(E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 18277233
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
CID 77012974
N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 61245613
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43237027
(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
CID 7131871

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 75403812) is (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CCn1cc(NC(=O)/C=C/c2ccc(C3CC3C)o2)ccc1=O.
What is the InChIKey of (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is XDSXPSYRGKCHAO-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-20-11-13(4-9-18(20)22)19-17(21)8-6-14-5-7-16(23-14)15-10-12(15)2/h4-9,11-12,15H,3,10H2,1-2H3,(H,19,21)/b8-6+.
What are the key properties of (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 75403812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).