methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate

C18H19Cl2N3O3 — CID 71087928

IUPACmethyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(C)c(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H19Cl2N3O3/c1-10-5-7-14(16(24)23-18(2,3)17(25)26-4)22-15(10)21-13-8-6-11(19)9-12(13)20/h5-9H,1-4H3,(H,21,22)(H,23,24)
InChIKeySJHNRQFOHFFIFU-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.12
Rot. Bonds5

About methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate

methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate (PubChem CID 71087928) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate
PubChem CID71087928
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC Namemethyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(C)c(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H19Cl2N3O3/c1-10-5-7-14(16(24)23-18(2,3)17(25)26-4)22-15(10)21-13-8-6-11(19)9-12(13)20/h5-9H,1-4H3,(H,21,22)(H,23,24)
InChIKeySJHNRQFOHFFIFU-UHFFFAOYSA-N
XLogP4.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate (CID 71087928) is methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1ccc(C)c(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate?
The InChIKey is SJHNRQFOHFFIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-10-5-7-14(16(24)23-18(2,3)17(25)26-4)22-15(10)21-13-8-6-11(19)9-12(13)20/h5-9H,1-4H3,(H,21,22)(H,23,24).
What are the key properties of methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate has a molecular weight of 396.27 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(2,4-dichloroanilino)-5-methylpyridine-2-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 71087928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).