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

C21H28BrN3O2 — CID 53237619

IUPAC5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide
SMILESCCCNn1c(C)c(C(=O)NC(c2ccccc2)C(C)C)c(C)c(Br)c1=O
InChIInChI=1S/C21H28BrN3O2/c1-6-12-23-25-15(5)17(14(4)18(22)21(25)27)20(26)24-19(13(2)3)16-10-8-7-9-11-16/h7-11,13,19,23H,6,12H2,1-5H3,(H,24,26)
InChIKeyGPVPKVQQKRLMLQ-UHFFFAOYSA-N
MW434.38 g/mol
LogP4.31
Rot. Bonds7

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

5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide (PubChem CID 53237619) has the molecular formula C21H28BrN3O2 and a molecular weight of 434.38 g/mol. Its IUPAC name is 5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide
PubChem CID53237619
Molecular FormulaC21H28BrN3O2
Molecular Weight434.38 g/mol
Exact Mass433.14
IUPAC Name5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide
SMILESCCCNn1c(C)c(C(=O)NC(c2ccccc2)C(C)C)c(C)c(Br)c1=O
InChIInChI=1S/C21H28BrN3O2/c1-6-12-23-25-15(5)17(14(4)18(22)21(25)27)20(26)24-19(13(2)3)16-10-8-7-9-11-16/h7-11,13,19,23H,6,12H2,1-5H3,(H,24,26)
InChIKeyGPVPKVQQKRLMLQ-UHFFFAOYSA-N
XLogP4.31
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide with MolForge

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Related Compounds

5-bromo-N-[(1S)-1-(3-fluorophenyl)propyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide
CID 53237391
2-(butylamino)-3-methyl-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide
CID 59253017
2-(ethylamino)-8-hydroxy-3-methyl-1-oxo-N-[(S)-phenyl(sulfanyl)methyl]isoquinoline-4-carboxamide
CID 143955702
2-(methylamino)-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119693512
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 51943952
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 46530467
5-bromo-1-butyl-N-[(1S)-1-(2-fluorophenyl)propyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 58307463
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide (CID 53237619) is 5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide is CCCNn1c(C)c(C(=O)NC(c2ccccc2)C(C)C)c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide?
The InChIKey is GPVPKVQQKRLMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BrN3O2/c1-6-12-23-25-15(5)17(14(4)18(22)21(25)27)20(26)24-19(13(2)3)16-10-8-7-9-11-16/h7-11,13,19,23H,6,12H2,1-5H3,(H,24,26).
What are the key properties of 5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide?
5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide has a molecular weight of 434.38 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dimethyl-N-[(1S)-2-methyl-1-phenylpropyl]-6-oxo-1-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 53237619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).