methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate

C24H31N3O6 — CID 25290660

IUPACmethyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1cn(Cc2ccccc2OC)cc(C(=O)NCCC(C)C)c1=O
InChIInChI=1S/C24H31N3O6/c1-15(2)10-11-25-22(29)18-13-27(12-17-8-6-7-9-20(17)32-4)14-19(21(18)28)23(30)26-16(3)24(31)33-5/h6-9,13-16H,10-12H2,1-5H3,(H,25,29)(H,26,30)/t16-/m1/s1
InChIKeyLVUKVXSWTGEXDB-MRXNPFEDSA-N
MW457.53 g/mol
LogP1.97
Rot. Bonds10

About methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate

methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate (PubChem CID 25290660) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
PubChem CID25290660
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC Namemethyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1cn(Cc2ccccc2OC)cc(C(=O)NCCC(C)C)c1=O
InChIInChI=1S/C24H31N3O6/c1-15(2)10-11-25-22(29)18-13-27(12-17-8-6-7-9-20(17)32-4)14-19(21(18)28)23(30)26-16(3)24(31)33-5/h6-9,13-16H,10-12H2,1-5H3,(H,25,29)(H,26,30)/t16-/m1/s1
InChIKeyLVUKVXSWTGEXDB-MRXNPFEDSA-N
XLogP1.97
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate
CID 26359401
5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 42471896
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26317211
3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 42483288
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26323463
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
CID 42162235
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate (CID 25290660) is methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)c1cn(Cc2ccccc2OC)cc(C(=O)NCCC(C)C)c1=O.
What is the InChIKey of methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate?
The InChIKey is LVUKVXSWTGEXDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-15(2)10-11-25-22(29)18-13-27(12-17-8-6-7-9-20(17)32-4)14-19(21(18)28)23(30)26-16(3)24(31)33-5/h6-9,13-16H,10-12H2,1-5H3,(H,25,29)(H,26,30)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate?
methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate has a molecular weight of 457.53 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 25290660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).