5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide

C20H25BrFN3O2 — CID 53237391

IUPAC5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide
SMILESCCCNn1c(C)c(C(=O)N[C@@H](CC)c2cccc(F)c2)c(C)c(Br)c1=O
InChIInChI=1S/C20H25BrFN3O2/c1-5-10-23-25-13(4)17(12(3)18(21)20(25)27)19(26)24-16(6-2)14-8-7-9-15(22)11-14/h7-9,11,16,23H,5-6,10H2,1-4H3,(H,24,26)/t16-/m0/s1
InChIKeyXUDCRYPEDJMLJZ-INIZCTEOSA-N
MW438.34 g/mol
LogP4.20
Rot. Bonds7

About 5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide

5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide (PubChem CID 53237391) has the molecular formula C20H25BrFN3O2 and a molecular weight of 438.34 g/mol. Its IUPAC name is 5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide
PubChem CID53237391
Molecular FormulaC20H25BrFN3O2
Molecular Weight438.34 g/mol
Exact Mass437.11
IUPAC Name5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide
SMILESCCCNn1c(C)c(C(=O)N[C@@H](CC)c2cccc(F)c2)c(C)c(Br)c1=O
InChIInChI=1S/C20H25BrFN3O2/c1-5-10-23-25-13(4)17(12(3)18(21)20(25)27)19(26)24-16(6-2)14-8-7-9-15(22)11-14/h7-9,11,16,23H,5-6,10H2,1-4H3,(H,24,26)/t16-/m0/s1
InChIKeyXUDCRYPEDJMLJZ-INIZCTEOSA-N
XLogP4.20
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide
CID 53237619
5-bromo-N-[1-(3-chlorophenyl)propyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
CID 75986193
5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide
CID 53239443
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(propylamino)isoquinoline-4-carboxamide
CID 59253002
2-(butylamino)-3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide
CID 59253017
N-[2-cyclobutyl-1-(3-fluorophenyl)ethyl]-8-fluoro-2-(2-fluoroethylamino)-3-methyl-1-oxoisoquinoline-4-carboxamide
CID 90743434
5-bromo-1-butyl-N-[(1S)-1-(2-fluorophenyl)propyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 58307463
5-bromo-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
CID 53239005
5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
CID 75986376
5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
CID 75986198
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81365152
[3-methyl-1-oxo-4-[[(1S)-1-phenylpropyl]carbamoyl]isoquinolin-2-yl]carbamic acid
CID 150861130

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide (CID 53237391) is 5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide is CCCNn1c(C)c(C(=O)N[C@@H](CC)c2cccc(F)c2)c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide?
The InChIKey is XUDCRYPEDJMLJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25BrFN3O2/c1-5-10-23-25-13(4)17(12(3)18(21)20(25)27)19(26)24-16(6-2)14-8-7-9-15(22)11-14/h7-9,11,16,23H,5-6,10H2,1-4H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide?
5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide has a molecular weight of 438.34 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 53237391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).