N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide

C15H14BrN3O2 — CID 122156320

IUPACN-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)cn1)(C(N)=O)c1ccccc1
InChIInChI=1S/C15H14BrN3O2/c1-15(14(17)21,10-5-3-2-4-6-10)19-13(20)12-8-7-11(16)9-18-12/h2-9H,1H3,(H2,17,21)(H,19,20)
InChIKeyVNLMDACVZDPPEX-UHFFFAOYSA-N
MW348.20 g/mol
LogP1.97
Rot. Bonds4

About N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide

N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide (PubChem CID 122156320) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide
PubChem CID122156320
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)cn1)(C(N)=O)c1ccccc1
InChIInChI=1S/C15H14BrN3O2/c1-15(14(17)21,10-5-3-2-4-6-10)19-13(20)12-8-7-11(16)9-18-12/h2-9H,1H3,(H2,17,21)(H,19,20)
InChIKeyVNLMDACVZDPPEX-UHFFFAOYSA-N
XLogP1.97
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 115606439
2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 167810033
2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793016
N-(1-amino-1-oxo-2-phenylpropan-2-yl)pyridine-4-carboxamide
CID 139000795
2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 62958243
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64555627
N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyridine-2-carboxamide
CID 71977558
5-hydrazinyl-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 114264154
N-[(2S)-1-amino-1-oxo-2-phenylpropan-2-yl]isoquinoline-1-carboxamide
CID 96523163
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-1,6-naphthyridine-4-carboxamide
CID 99787443

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide (CID 122156320) is N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide is CC(NC(=O)c1ccc(Br)cn1)(C(N)=O)c1ccccc1.
What is the InChIKey of N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide?
The InChIKey is VNLMDACVZDPPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-15(14(17)21,10-5-3-2-4-6-10)19-13(20)12-8-7-11(16)9-18-12/h2-9H,1H3,(H2,17,21)(H,19,20).
What are the key properties of N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide?
N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 122156320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).