(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide

C21H25N3O3 — CID 46598669

IUPAC(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)NCc2cccnc2N2CCOCC2)o1
InChIInChI=1S/C21H25N3O3/c1-15-13-18(15)19-6-4-17(27-19)5-7-20(25)23-14-16-3-2-8-22-21(16)24-9-11-26-12-10-24/h2-8,15,18H,9-14H2,1H3,(H,23,25)/b7-5+
InChIKeyLVWRRFDRCGOSPJ-FNORWQNLSA-N
MW367.45 g/mol
LogP2.96
Rot. Bonds6

About (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide

(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 46598669) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
PubChem CID46598669
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)NCc2cccnc2N2CCOCC2)o1
InChIInChI=1S/C21H25N3O3/c1-15-13-18(15)19-6-4-17(27-19)5-7-20(25)23-14-16-3-2-8-22-21(16)24-9-11-26-12-10-24/h2-8,15,18H,9-14H2,1H3,(H,23,25)/b7-5+
InChIKeyLVWRRFDRCGOSPJ-FNORWQNLSA-N
XLogP2.96
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide with MolForge

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Related Compounds

1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 94029265
(E)-3-(2-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 39248673
(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-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 37489406
cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97081544
(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 39568621
(E)-N-[(4-fluorophenyl)methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43034838
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 34444534
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2-morpholin-4-ylpyridin-3-amine
CID 99704978
2-[[[(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102558437

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide (CID 46598669) is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide is CC1CC1c1ccc(/C=C/C(=O)NCc2cccnc2N2CCOCC2)o1.
What is the InChIKey of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is LVWRRFDRCGOSPJ-FNORWQNLSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-13-18(15)19-6-4-17(27-19)5-7-20(25)23-14-16-3-2-8-22-21(16)24-9-11-26-12-10-24/h2-8,15,18H,9-14H2,1H3,(H,23,25)/b7-5+.
What are the key properties of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 367.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 46598669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).