methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate

C20H25N3O3 — CID 67384624

IUPACmethyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H25N3O3/c1-25-20(24)18(13-16-5-3-2-4-6-16)21-14-17-7-8-19(22-15-17)23-9-11-26-12-10-23/h2-8,15,18,21H,9-14H2,1H3
InChIKeyYXDWSEPDCJUQMJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.79
Rot. Bonds7

About methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate

methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate (PubChem CID 67384624) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate
PubChem CID67384624
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namemethyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H25N3O3/c1-25-20(24)18(13-16-5-3-2-4-6-16)21-14-17-7-8-19(22-15-17)23-9-11-26-12-10-23/h2-8,15,18,21H,9-14H2,1H3
InChIKeyYXDWSEPDCJUQMJ-UHFFFAOYSA-N
XLogP1.79
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate with MolForge

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Related Compounds

(2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid
CID 120511564
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47046949
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
1-(2-methoxyphenyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41430289
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid
CID 170882100
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate (CID 67384624) is methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate?
The InChIKey is YXDWSEPDCJUQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-20(24)18(13-16-5-3-2-4-6-16)21-14-17-7-8-19(22-15-17)23-9-11-26-12-10-23/h2-8,15,18,21H,9-14H2,1H3.
What are the key properties of methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate?
methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate has a molecular weight of 355.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate is sourced from PubChem (CID 67384624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).