5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide

C16H17BrN2O2 — CID 2941334

IUPAC5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide
SMILESCCC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C16H17BrN2O2/c1-3-10(2)11-4-5-15(20)14(7-11)19-16(21)12-6-13(17)9-18-8-12/h4-10,20H,3H2,1-2H3,(H,19,21)
InChIKeyICKUJBPPTAGAHH-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.32
Rot. Bonds4

About 5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide

5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide (PubChem CID 2941334) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide
PubChem CID2941334
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide
SMILESCCC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C16H17BrN2O2/c1-3-10(2)11-4-5-15(20)14(7-11)19-16(21)12-6-13(17)9-18-8-12/h4-10,20H,3H2,1-2H3,(H,19,21)
InChIKeyICKUJBPPTAGAHH-UHFFFAOYSA-N
XLogP4.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-phenylphenyl)-4-{[(pyridin-3-ylmethyl)amino]methyl}benzamide
CID 25159049
N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25159052
N-(2-hydroxy-5-phenylphenyl)-4-({[1-(pyridin-4-yl)ethyl]amino}methyl)benzamide
CID 25218547
N-[(5-bromo-3-pyridinyl)carbonyl]-N'-(2-hydroxyphenyl)thiourea
CID 1016572
N-[5-(butan-2-yl)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 2999843
5-bromo-N-(2-hydroxy-5-isopropylphenyl)nicotinamide
CID 3242278
5-bromo-N-(2-hydroxy-4-methylphenyl)nicotinamide
CID 753638
N-{[(2-hydroxy-5-isopropylphenyl)amino]carbonothioyl}nicotinamide
CID 889369
N-{[(5-sec-butyl-2-hydroxyphenyl)amino]carbonothioyl}nicotinamide
CID 2939261
N-(2-hydroxy-5-phenylphenyl)pyridine-3-carboxamide
CID 44454622
N-(2-hydroxy-5-phenylphenyl)pyridine-4-carboxamide
CID 44454623
N-(2-hydroxy-5-phenylphenyl)pyridine-2-carboxamide
CID 44454646

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide (CID 2941334) is 5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide is CCC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide?
The InChIKey is ICKUJBPPTAGAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-10(2)11-4-5-15(20)14(7-11)19-16(21)12-6-13(17)9-18-8-12/h4-10,20H,3H2,1-2H3,(H,19,21).
What are the key properties of 5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide?
5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-butan-2-yl-2-hydroxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2941334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).