methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate

C16H15ClN2O4 — CID 167140271

IUPACmethyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C16H15ClN2O4/c1-22-13-7-11(10-4-3-5-12(17)6-10)8-18-15(13)16(21)19-9-14(20)23-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyMBJUERPETOHXGV-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.31
Rot. Bonds5

About methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate

methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate (PubChem CID 167140271) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate
PubChem CID167140271
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Namemethyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C16H15ClN2O4/c1-22-13-7-11(10-4-3-5-12(17)6-10)8-18-15(13)16(21)19-9-14(20)23-2/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyMBJUERPETOHXGV-UHFFFAOYSA-N
XLogP2.31
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate (CID 167140271) is methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1OC.
What is the InChIKey of methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate?
The InChIKey is MBJUERPETOHXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-22-13-7-11(10-4-3-5-12(17)6-10)8-18-15(13)16(21)19-9-14(20)23-2/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate?
methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate has a molecular weight of 334.76 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(3-chlorophenyl)-3-methoxypyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 167140271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).