3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide

C20H24BrN3O3 — CID 70160671

IUPAC3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide
SMILESCOCc1c(Br)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NC(C)C
InChIInChI=1S/C20H24BrN3O3/c1-11(2)22-20(26)18-14(8-7-13(4)23-18)19(25)24-17-12(3)6-9-16(21)15(17)10-27-5/h6-9,11H,10H2,1-5H3,(H,22,26)(H,24,25)
InChIKeyAEDQATIEQPJWJR-UHFFFAOYSA-N
MW434.33 g/mol
LogP4.00
Rot. Bonds6

About 3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide

3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide (PubChem CID 70160671) has the molecular formula C20H24BrN3O3 and a molecular weight of 434.33 g/mol. Its IUPAC name is 3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide
PubChem CID70160671
Molecular FormulaC20H24BrN3O3
Molecular Weight434.33 g/mol
Exact Mass433.10
IUPAC Name3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide
SMILESCOCc1c(Br)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NC(C)C
InChIInChI=1S/C20H24BrN3O3/c1-11(2)22-20(26)18-14(8-7-13(4)23-18)19(25)24-17-12(3)6-9-16(21)15(17)10-27-5/h6-9,11H,10H2,1-5H3,(H,22,26)(H,24,25)
InChIKeyAEDQATIEQPJWJR-UHFFFAOYSA-N
XLogP4.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide?
The IUPAC name of 3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide (CID 70160671) is 3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide?
The canonical SMILES for 3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide is COCc1c(Br)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NC(C)C.
What is the InChIKey of 3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide?
The InChIKey is AEDQATIEQPJWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3/c1-11(2)22-20(26)18-14(8-7-13(4)23-18)19(25)24-17-12(3)6-9-16(21)15(17)10-27-5/h6-9,11H,10H2,1-5H3,(H,22,26)(H,24,25).
What are the key properties of 3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide?
3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide has a molecular weight of 434.33 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-bromo-2-(methoxymethyl)-6-methylphenyl]-6-methyl-2-N-propan-2-ylpyridine-2,3-dicarboxamide is sourced from PubChem (CID 70160671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).