5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide

C19H21BrFN3O2 — CID 162644960

IUPAC5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
SMILESCc1c(Br)cc(C(=O)NC2CCNCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H21BrFN3O2/c1-12-17(20)10-16(18(25)23-15-6-8-22-9-7-15)19(26)24(12)11-13-2-4-14(21)5-3-13/h2-5,10,15,22H,6-9,11H2,1H3,(H,23,25)
InChIKeyPDHOGOAIZVGCIX-UHFFFAOYSA-N
MW422.30 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide

5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 162644960) has the molecular formula C19H21BrFN3O2 and a molecular weight of 422.30 g/mol. Its IUPAC name is 5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
PubChem CID162644960
Molecular FormulaC19H21BrFN3O2
Molecular Weight422.30 g/mol
Exact Mass421.08
IUPAC Name5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
SMILESCc1c(Br)cc(C(=O)NC2CCNCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H21BrFN3O2/c1-12-17(20)10-16(18(25)23-15-6-8-22-9-7-15)19(26)24(12)11-13-2-4-14(21)5-3-13/h2-5,10,15,22H,6-9,11H2,1H3,(H,23,25)
InChIKeyPDHOGOAIZVGCIX-UHFFFAOYSA-N
XLogP2.59
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119387105
6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831354
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119387104
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide (CID 162644960) is 5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide is Cc1c(Br)cc(C(=O)NC2CCNCC2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is PDHOGOAIZVGCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O2/c1-12-17(20)10-16(18(25)23-15-6-8-22-9-7-15)19(26)24(12)11-13-2-4-14(21)5-3-13/h2-5,10,15,22H,6-9,11H2,1H3,(H,23,25).
What are the key properties of 5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide?
5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 422.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 162644960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).