[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone

C20H25N3O3 — CID 125000995

IUPAC[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)cc1
InChIInChI=1S/C20H25N3O3/c1-25-14-16-2-5-17(6-3-16)20(24)23-10-11-26-18(13-23)7-4-15-8-9-22-19(21)12-15/h2-3,5-6,8-9,12,18H,4,7,10-11,13-14H2,1H3,(H2,21,22)/t18-/m0/s1
InChIKeyRZVABVPVBIRDAE-SFHVURJKSA-N
MW355.44 g/mol
LogP2.28
Rot. Bonds6

About [(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone

[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone (PubChem CID 125000995) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
PubChem CID125000995
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)cc1
InChIInChI=1S/C20H25N3O3/c1-25-14-16-2-5-17(6-3-16)20(24)23-10-11-26-18(13-23)7-4-15-8-9-22-19(21)12-15/h2-3,5-6,8-9,12,18H,4,7,10-11,13-14H2,1H3,(H2,21,22)/t18-/m0/s1
InChIKeyRZVABVPVBIRDAE-SFHVURJKSA-N
XLogP2.28
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124969041
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 110113969
[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 125002887
[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]-pyridin-2-ylmethanone
CID 110113908
[(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
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 110113973
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125021853
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 125024579
(E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 110113905
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124997143

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone?
The IUPAC name of [(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone (CID 125000995) is [(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone is COCc1ccc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)cc1.
What is the InChIKey of [(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone?
The InChIKey is RZVABVPVBIRDAE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-14-16-2-5-17(6-3-16)20(24)23-10-11-26-18(13-23)7-4-15-8-9-22-19(21)12-15/h2-3,5-6,8-9,12,18H,4,7,10-11,13-14H2,1H3,(H2,21,22)/t18-/m0/s1.
What are the key properties of [(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone?
[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 125000995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).