methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate

C17H18N2O3 — CID 95980810

IUPACmethyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(C)nc1
InChIInChI=1S/C17H18N2O3/c1-12-9-10-14(11-18-12)16(20)19(2)15(17(21)22-3)13-7-5-4-6-8-13/h4-11,15H,1-3H3/t15-/m1/s1
InChIKeyNJXVFJXXYACCOI-OAHLLOKOSA-N
MW298.34 g/mol
LogP2.38
Rot. Bonds4

About methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate

methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate (PubChem CID 95980810) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate
PubChem CID95980810
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(C)nc1
InChIInChI=1S/C17H18N2O3/c1-12-9-10-14(11-18-12)16(20)19(2)15(17(21)22-3)13-7-5-4-6-8-13/h4-11,15H,1-3H3/t15-/m1/s1
InChIKeyNJXVFJXXYACCOI-OAHLLOKOSA-N
XLogP2.38
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 95772953
6-methoxy-N-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 134031462
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide
CID 94608879
toluene;N,N,6-trimethylpyridine-3-carboxamide;hydrate
CID 159310249
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 61044427
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide
CID 61121780
(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate
CID 46552586
methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
CID 52511728
N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone
CID 159365691

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate (CID 95980810) is methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate is COC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(C)nc1.
What is the InChIKey of methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate?
The InChIKey is NJXVFJXXYACCOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-9-10-14(11-18-12)16(20)19(2)15(17(21)22-3)13-7-5-4-6-8-13/h4-11,15H,1-3H3/t15-/m1/s1.
What are the key properties of methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate?
methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate has a molecular weight of 298.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 95980810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).