methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate

C17H17ClN2O3 — CID 71087695

IUPACmethyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cccc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H17ClN2O3/c1-17(2,16(22)23-3)20-15(21)14-10-6-9-13(19-14)11-7-4-5-8-12(11)18/h4-10H,1-3H3,(H,20,21)
InChIKeyIBAHPXOFHMAVJM-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.08
Rot. Bonds4

About methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate

methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate (PubChem CID 71087695) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate
PubChem CID71087695
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Namemethyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cccc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H17ClN2O3/c1-17(2,16(22)23-3)20-15(21)14-10-6-9-13(19-14)11-7-4-5-8-12(11)18/h4-10H,1-3H3,(H,20,21)
InChIKeyIBAHPXOFHMAVJM-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate (CID 71087695) is methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1cccc(-c2ccccc2Cl)n1.
What is the InChIKey of methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
The InChIKey is IBAHPXOFHMAVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-17(2,16(22)23-3)20-15(21)14-10-6-9-13(19-14)11-7-4-5-8-12(11)18/h4-10H,1-3H3,(H,20,21).
What are the key properties of methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate has a molecular weight of 332.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(2-chlorophenyl)pyridine-2-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 71087695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).