5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide

C22H25BrF2N2O2 — CID 75986198

IUPAC5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1c(C)c(C(=O)NC(c2cc(F)cc(F)c2)C2CCC2)c(C)c(Br)c1=O
InChIInChI=1S/C22H25BrF2N2O2/c1-4-8-27-13(3)18(12(2)19(23)22(27)29)21(28)26-20(14-6-5-7-14)15-9-16(24)11-17(25)10-15/h9-11,14,20H,4-8H2,1-3H3,(H,26,28)
InChIKeyBYPMLTSRPVCMTC-UHFFFAOYSA-N
MW467.35 g/mol
LogP5.19
Rot. Bonds6

About 5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide

5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide (PubChem CID 75986198) has the molecular formula C22H25BrF2N2O2 and a molecular weight of 467.35 g/mol. Its IUPAC name is 5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
PubChem CID75986198
Molecular FormulaC22H25BrF2N2O2
Molecular Weight467.35 g/mol
Exact Mass466.11
IUPAC Name5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1c(C)c(C(=O)NC(c2cc(F)cc(F)c2)C2CCC2)c(C)c(Br)c1=O
InChIInChI=1S/C22H25BrF2N2O2/c1-4-8-27-13(3)18(12(2)19(23)22(27)29)21(28)26-20(14-6-5-7-14)15-9-16(24)11-17(25)10-15/h9-11,14,20H,4-8H2,1-3H3,(H,26,28)
InChIKeyBYPMLTSRPVCMTC-UHFFFAOYSA-N
XLogP5.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.35
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide (CID 75986198) is 5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide is CCCn1c(C)c(C(=O)NC(c2cc(F)cc(F)c2)C2CCC2)c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
The InChIKey is BYPMLTSRPVCMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrF2N2O2/c1-4-8-27-13(3)18(12(2)19(23)22(27)29)21(28)26-20(14-6-5-7-14)15-9-16(24)11-17(25)10-15/h9-11,14,20H,4-8H2,1-3H3,(H,26,28).
What are the key properties of 5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide?
5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide has a molecular weight of 467.35 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide is sourced from PubChem (CID 75986198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).