methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate

C24H22Cl2N2O4 — CID 86304914

IUPACmethyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)nc1
InChIInChI=1S/C24H22Cl2N2O4/c1-24(2,23(30)31-3)28-22(29)16-10-13-20(27-14-16)32-21(15-8-11-17(25)12-9-15)18-6-4-5-7-19(18)26/h4-14,21H,1-3H3,(H,28,29)
InChIKeyOXTNZKCEWMLKHT-UHFFFAOYSA-N
MW473.36 g/mol
LogP5.24
Rot. Bonds7

About methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate

methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate (PubChem CID 86304914) has the molecular formula C24H22Cl2N2O4 and a molecular weight of 473.36 g/mol. Its IUPAC name is methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate
PubChem CID86304914
Molecular FormulaC24H22Cl2N2O4
Molecular Weight473.36 g/mol
Exact Mass472.10
IUPAC Namemethyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)nc1
InChIInChI=1S/C24H22Cl2N2O4/c1-24(2,23(30)31-3)28-22(29)16-10-13-20(27-14-16)32-21(15-8-11-17(25)12-9-15)18-6-4-5-7-19(18)26/h4-14,21H,1-3H3,(H,28,29)
InChIKeyOXTNZKCEWMLKHT-UHFFFAOYSA-N
XLogP5.24
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.36
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate (CID 86304914) is methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)nc1.
What is the InChIKey of methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate?
The InChIKey is OXTNZKCEWMLKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O4/c1-24(2,23(30)31-3)28-22(29)16-10-13-20(27-14-16)32-21(15-8-11-17(25)12-9-15)18-6-4-5-7-19(18)26/h4-14,21H,1-3H3,(H,28,29).
What are the key properties of methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate has a molecular weight of 473.36 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 86304914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).