5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide

C16H17BrN2O2 — CID 62952857

IUPAC5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C16H17BrN2O2/c1-11(2)10-21-15-6-4-3-5-13(15)19-16(20)14-8-7-12(17)9-18-14/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyIBXOLCIEXVMMBN-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.13
Rot. Bonds5

About 5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide

5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide (PubChem CID 62952857) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide
PubChem CID62952857
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C16H17BrN2O2/c1-11(2)10-21-15-6-4-3-5-13(15)19-16(20)14-8-7-12(17)9-18-14/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyIBXOLCIEXVMMBN-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 62958811
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
2-(4-bromophenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 17074248
N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934176
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
ethyl 2-methyl-6-[[2-(2-methylpropoxy)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55888060
5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130986
4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 60927264
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
3-bromo-N-[2-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17074334

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide (CID 62952857) is 5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide is CC(C)COc1ccccc1NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is IBXOLCIEXVMMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(2)10-21-15-6-4-3-5-13(15)19-16(20)14-8-7-12(17)9-18-14/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide?
5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 62952857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).