Skip to content

[2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid

C27H29BrFN3O6 — CID 151118344

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid
SMILESCc1ccc(C(=O)NCC(C)(C)O)cc1-n1c(C)cc(OCc2ccc(F)cc2CNC(=O)O)c(Br)c1=O
InChIInChI=1S/C27H29BrFN3O6/c1-15-5-6-17(24(33)31-14-27(3,4)37)11-21(15)32-16(2)9-22(23(28)25(32)34)38-13-18-7-8-20(29)10-19(18)12-30-26(35)36/h5-11,30,37H,12-14H2,1-4H3,(H,31,33)(H,35,36)
InChIKeyMRQOXXOPKVUOPJ-UHFFFAOYSA-N
MW590.45 g/mol
LogP4.20
Rot. Bonds9

About [2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid

[2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid (PubChem CID 151118344) has the molecular formula C27H29BrFN3O6 and a molecular weight of 590.45 g/mol. Its IUPAC name is [2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid
PubChem CID151118344
Molecular FormulaC27H29BrFN3O6
Molecular Weight590.45 g/mol
Exact Mass589.12
IUPAC Name[2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid
SMILESCc1ccc(C(=O)NCC(C)(C)O)cc1-n1c(C)cc(OCc2ccc(F)cc2CNC(=O)O)c(Br)c1=O
InChIInChI=1S/C27H29BrFN3O6/c1-15-5-6-17(24(33)31-14-27(3,4)37)11-21(15)32-16(2)9-22(23(28)25(32)34)38-13-18-7-8-20(29)10-19(18)12-30-26(35)36/h5-11,30,37H,12-14H2,1-4H3,(H,31,33)(H,35,36)
InChIKeyMRQOXXOPKVUOPJ-UHFFFAOYSA-N
XLogP4.20
TPSA129.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.45
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid?
The IUPAC name of [2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid (CID 151118344) is [2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid.
What is the SMILES notation for [2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid?
The canonical SMILES for [2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid is Cc1ccc(C(=O)NCC(C)(C)O)cc1-n1c(C)cc(OCc2ccc(F)cc2CNC(=O)O)c(Br)c1=O.
What is the InChIKey of [2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid?
The InChIKey is MRQOXXOPKVUOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29BrFN3O6/c1-15-5-6-17(24(33)31-14-27(3,4)37)11-21(15)32-16(2)9-22(23(28)25(32)34)38-13-18-7-8-20(29)10-19(18)12-30-26(35)36/h5-11,30,37H,12-14H2,1-4H3,(H,31,33)(H,35,36).
What are the key properties of [2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid?
[2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid has a molecular weight of 590.45 g/mol, XLogP of 4.20, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-bromo-1-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylphenyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylcarbamic acid is sourced from PubChem (CID 151118344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.