5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide

C18H21BrN2O2 — CID 86681798

IUPAC5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCC(C)(C)ON(CCc1ccccc1)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C18H21BrN2O2/c1-18(2,3)23-21(12-11-14-7-5-4-6-8-14)17(22)16-10-9-15(19)13-20-16/h4-10,13H,11-12H2,1-3H3
InChIKeyMMQPFUSDRXXFCX-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.26
Rot. Bonds5

About 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide

5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 86681798) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID86681798
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCC(C)(C)ON(CCc1ccccc1)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C18H21BrN2O2/c1-18(2,3)23-21(12-11-14-7-5-4-6-8-14)17(22)16-10-9-15(19)13-20-16/h4-10,13H,11-12H2,1-3H3
InChIKeyMMQPFUSDRXXFCX-UHFFFAOYSA-N
XLogP4.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86681796
N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
CID 158460534
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 115606439
N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62957970
O-tert-butylhydroxylamine;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;isoquinoline-3-carboxylic acid;N-[(2-methylpropan-2-yl)oxy]isoquinoline-3-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 160740248
N-methoxy-N-methyl-5-(2-phenylethyl)pyridine-2-carboxamide
CID 175979322
benzyl N-[2-(5-bromo-2-pyridinyl)-2-oxoethyl]-N-methylcarbamate
CID 170993973
5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 59392699
5-bromo-N-phenylmethoxypyridine-2-carboxamide
CID 62998593
2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one
CID 164562677
tert-butyl 3-(5-bromo-2-pyridinyl)-3-oxopropanoate
CID 71580223
N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
CID 79112080

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide (CID 86681798) is 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide is CC(C)(C)ON(CCc1ccccc1)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is MMQPFUSDRXXFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-18(2,3)23-21(12-11-14-7-5-4-6-8-14)17(22)16-10-9-15(19)13-20-16/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide?
5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 377.28 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 86681798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).