methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate

C17H17ClN2O5 — CID 125498949

IUPACmethyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate
SMILESCOC(=O)[C@@H](c1ccc(OC)cc1)N(C)C(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C17H17ClN2O5/c1-20(16(22)11-8-13(18)15(21)19-9-11)14(17(23)25-3)10-4-6-12(24-2)7-5-10/h4-9,14H,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyMAJVGDGJPITMCN-CQSZACIVSA-N
MW364.79 g/mol
LogP2.02
Rot. Bonds5

About methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate

methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate (PubChem CID 125498949) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate
PubChem CID125498949
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Namemethyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate
SMILESCOC(=O)[C@@H](c1ccc(OC)cc1)N(C)C(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C17H17ClN2O5/c1-20(16(22)11-8-13(18)15(21)19-9-11)14(17(23)25-3)10-4-6-12(24-2)7-5-10/h4-9,14H,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyMAJVGDGJPITMCN-CQSZACIVSA-N
XLogP2.02
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110860623
methyl 2-[(4-cyanobenzoyl)-methylamino]-2-(3,4-dichlorophenyl)acetate
CID 51132529
methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
CID 52511728
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
methyl 2-bromo-2-(4-methoxyphenyl)acetate
CID 10753737
methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate
CID 169443554
5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 23795092
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-4-methoxy-N-methylbenzamide
CID 46419830
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
ethyl 3-(5-chloro-6-oxo-1H-pyridin-3-yl)-2-(ethylamino)-3-oxopropanoate
CID 70374427
N-[2-[3-chloro-4-(trimethyl-λ4-sulfanyl)anilino]-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 129055229
methyl (2R)-2-[methyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]-2-(3,4,5-trifluorophenyl)acetate
CID 97225818

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate (CID 125498949) is methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate is COC(=O)[C@@H](c1ccc(OC)cc1)N(C)C(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate?
The InChIKey is MAJVGDGJPITMCN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-20(16(22)11-8-13(18)15(21)19-9-11)14(17(23)25-3)10-4-6-12(24-2)7-5-10/h4-9,14H,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate?
methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate has a molecular weight of 364.79 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 125498949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).