2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

C15H15BrN2O2 — CID 103752407

IUPAC2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccnc1Br
InChIInChI=1S/C15H15BrN2O2/c1-10(2)20-13-8-4-3-7-12(13)18-15(19)11-6-5-9-17-14(11)16/h3-10H,1-2H3,(H,18,19)
InChIKeyOMDBPKBLBDZGTJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.88
Rot. Bonds4

About 2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 103752407) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID103752407
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccnc1Br
InChIInChI=1S/C15H15BrN2O2/c1-10(2)20-13-8-4-3-7-12(13)18-15(19)11-6-5-9-17-14(11)16/h3-10H,1-2H3,(H,18,19)
InChIKeyOMDBPKBLBDZGTJ-UHFFFAOYSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-methyl-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103754715
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide
CID 103885259
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498
4-chloro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81227462
2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide
CID 86612636
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
2-oxo-N-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carboxamide
CID 110692726
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872
2-chloro-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
CID 106685838
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 103752407) is 2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is OMDBPKBLBDZGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10(2)20-13-8-4-3-7-12(13)18-15(19)11-6-5-9-17-14(11)16/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 103752407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).