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

C21H25N3O3 — CID 33030298

IUPAC(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H25N3O3/c1-16-3-5-19(26-2)18(13-16)4-6-21(25)23-15-17-7-8-22-20(14-17)24-9-11-27-12-10-24/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,25)/b6-4+
InChIKeyOKLDBSRIZKRWEU-GQCTYLIASA-N
MW367.45 g/mol
LogP2.56
Rot. Bonds6

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

(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide (PubChem CID 33030298) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
PubChem CID33030298
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H25N3O3/c1-16-3-5-19(26-2)18(13-16)4-6-21(25)23-15-17-7-8-22-20(14-17)24-9-11-27-12-10-24/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,25)/b6-4+
InChIKeyOKLDBSRIZKRWEU-GQCTYLIASA-N
XLogP2.56
TPSA63.69 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

(E)-3-(2-methoxy-5-methylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide
CID 35614601
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]prop-2-enamide
CID 37312632
(E)-3-(2-methoxy-5-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 9483464
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 32584361
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
CID 33029863
(E)-3-(2-methoxy-5-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 24505100
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 46457175
(E)-3-(5-bromo-2-methoxyphenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 8781214

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide (CID 33030298) is (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide is COc1ccc(C)cc1/C=C/C(=O)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide?
The InChIKey is OKLDBSRIZKRWEU-GQCTYLIASA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-3-5-19(26-2)18(13-16)4-6-21(25)23-15-17-7-8-22-20(14-17)24-9-11-27-12-10-24/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,25)/b6-4+.
What are the key properties of (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide?
(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide has a molecular weight of 367.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 33030298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).