1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one

C20H25N3O3 — CID 110113973

IUPAC1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one
SMILESNc1cc(CCC2CN(C(=O)CCOc3ccccc3)CCO2)ccn1
InChIInChI=1S/C20H25N3O3/c21-19-14-16(8-10-22-19)6-7-18-15-23(11-13-26-18)20(24)9-12-25-17-4-2-1-3-5-17/h1-5,8,10,14,18H,6-7,9,11-13,15H2,(H2,21,22)
InChIKeyLJYRTVFMMOHCMF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.29
Rot. Bonds7

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

1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one (PubChem CID 110113973) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one
PubChem CID110113973
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one
SMILESNc1cc(CCC2CN(C(=O)CCOc3ccccc3)CCO2)ccn1
InChIInChI=1S/C20H25N3O3/c21-19-14-16(8-10-22-19)6-7-18-15-23(11-13-26-18)20(24)9-12-25-17-4-2-1-3-5-17/h1-5,8,10,14,18H,6-7,9,11-13,15H2,(H2,21,22)
InChIKeyLJYRTVFMMOHCMF-UHFFFAOYSA-N
XLogP2.29
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 110113956
4-[2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 125022970
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125021853
(E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 110113905
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 110113908
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one
CID 125003433
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 124998866
[(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
4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid
CID 124992467
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110113951
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 110113969

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one (CID 110113973) is 1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one is Nc1cc(CCC2CN(C(=O)CCOc3ccccc3)CCO2)ccn1.
What is the InChIKey of 1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one?
The InChIKey is LJYRTVFMMOHCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c21-19-14-16(8-10-22-19)6-7-18-15-23(11-13-26-18)20(24)9-12-25-17-4-2-1-3-5-17/h1-5,8,10,14,18H,6-7,9,11-13,15H2,(H2,21,22).
What are the key properties of 1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one?
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one has a molecular weight of 355.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 110113973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).