(E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one

C20H23N3O2 — CID 110113905

IUPAC(E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
SMILESNc1cc(CCC2CN(C(=O)/C=C/c3ccccc3)CCO2)ccn1
InChIInChI=1S/C20H23N3O2/c21-19-14-17(10-11-22-19)6-8-18-15-23(12-13-25-18)20(24)9-7-16-4-2-1-3-5-16/h1-5,7,9-11,14,18H,6,8,12-13,15H2,(H2,21,22)/b9-7+
InChIKeyWWZIHURPDPZNSY-VQHVLOKHSA-N
MW337.42 g/mol
LogP2.54
Rot. Bonds5

About (E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one

(E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one (PubChem CID 110113905) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
PubChem CID110113905
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
SMILESNc1cc(CCC2CN(C(=O)/C=C/c3ccccc3)CCO2)ccn1
InChIInChI=1S/C20H23N3O2/c21-19-14-17(10-11-22-19)6-8-18-15-23(12-13-25-18)20(24)9-7-16-4-2-1-3-5-16/h1-5,7,9-11,14,18H,6,8,12-13,15H2,(H2,21,22)/b9-7+
InChIKeyWWZIHURPDPZNSY-VQHVLOKHSA-N
XLogP2.54
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.54
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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Launch Full Analysis

Related Compounds

1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 110113973
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 110113908
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 110113956
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125021853
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110113951
[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 125000995
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 125024579
[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124965509
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 110119292
3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
CID 110113863
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 110113969
[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124969041

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one (CID 110113905) is (E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one is Nc1cc(CCC2CN(C(=O)/C=C/c3ccccc3)CCO2)ccn1.
What is the InChIKey of (E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one?
The InChIKey is WWZIHURPDPZNSY-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-19-14-17(10-11-22-19)6-8-18-15-23(12-13-25-18)20(24)9-7-16-4-2-1-3-5-16/h1-5,7,9-11,14,18H,6,8,12-13,15H2,(H2,21,22)/b9-7+.
What are the key properties of (E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one?
(E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one has a molecular weight of 337.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 110113905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).