5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide

C21H24BrFN2O2 — CID 162654853

IUPAC5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C21H24BrFN2O2/c1-14-19(22)12-18(20(26)24-17-6-4-2-3-5-7-17)21(27)25(14)13-15-8-10-16(23)11-9-15/h8-12,17H,2-7,13H2,1H3,(H,24,26)
InChIKeyIBDOGMBSQPMZKN-UHFFFAOYSA-N
MW435.34 g/mol
LogP4.56
Rot. Bonds4

About 5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide

5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 162654853) has the molecular formula C21H24BrFN2O2 and a molecular weight of 435.34 g/mol. Its IUPAC name is 5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID162654853
Molecular FormulaC21H24BrFN2O2
Molecular Weight435.34 g/mol
Exact Mass434.10
IUPAC Name5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C21H24BrFN2O2/c1-14-19(22)12-18(20(26)24-17-6-4-2-3-5-7-17)21(27)25(14)13-15-8-10-16(23)11-9-15/h8-12,17H,2-7,13H2,1H3,(H,24,26)
InChIKeyIBDOGMBSQPMZKN-UHFFFAOYSA-N
XLogP4.56
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide (CID 162654853) is 5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide is Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is IBDOGMBSQPMZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrFN2O2/c1-14-19(22)12-18(20(26)24-17-6-4-2-3-5-7-17)21(27)25(14)13-15-8-10-16(23)11-9-15/h8-12,17H,2-7,13H2,1H3,(H,24,26).
What are the key properties of 5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 435.34 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 162654853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).