methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate

C21H25N3O4 — CID 30043103

IUPACmethyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(C)cc1
InChIInChI=1S/C21H25N3O4/c1-15-3-5-16(6-4-15)18(13-20(25)27-2)23-21(26)17-7-8-19(22-14-17)24-9-11-28-12-10-24/h3-8,14,18H,9-13H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyZDFLXFJKUPDSJW-GOSISDBHSA-N
MW383.45 g/mol
LogP2.26
Rot. Bonds6

About methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate

methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate (PubChem CID 30043103) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate
PubChem CID30043103
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Namemethyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(C)cc1
InChIInChI=1S/C21H25N3O4/c1-15-3-5-16(6-4-15)18(13-20(25)27-2)23-21(26)17-7-8-19(22-14-17)24-9-11-28-12-10-24/h3-8,14,18H,9-13H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyZDFLXFJKUPDSJW-GOSISDBHSA-N
XLogP2.26
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479
methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate
CID 55532033
N-[1-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570773
N-[(1S)-1-(4-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 94018845
N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 46515997
N-(5-methyl-2-pyridinyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142509
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-[(4-methylbenzoyl)amino]propanoate
CID 40565105
N-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056
N-[(2R)-5-(diethylamino)pentan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 94813287
methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 31861915
[(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid
CID 138676035

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate (CID 30043103) is methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate is COC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(C)cc1.
What is the InChIKey of methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate?
The InChIKey is ZDFLXFJKUPDSJW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15-3-5-16(6-4-15)18(13-20(25)27-2)23-21(26)17-7-8-19(22-14-17)24-9-11-28-12-10-24/h3-8,14,18H,9-13H2,1-2H3,(H,23,26)/t18-/m1/s1.
What are the key properties of methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate?
methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate has a molecular weight of 383.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 30043103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).