5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide

C10H13BrN2O2 — CID 131048375

IUPAC5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
SMILESCC(O)C(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-6(7(2)14)13-10(15)8-3-9(11)5-12-4-8/h3-7,14H,1-2H3,(H,13,15)
InChIKeyJVEVKXOYMCAWRZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.34
Rot. Bonds3

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

5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide (PubChem CID 131048375) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
PubChem CID131048375
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
SMILESCC(O)C(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-6(7(2)14)13-10(15)8-3-9(11)5-12-4-8/h3-7,14H,1-2H3,(H,13,15)
InChIKeyJVEVKXOYMCAWRZ-UHFFFAOYSA-N
XLogP1.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 28979295
5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
CID 113407759
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
(2R,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 28979309
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
diethyl 2-[(5-bromopyridine-3-carbonyl)amino]propanedioate
CID 33240132
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353006
5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
CID 9220092
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide (CID 131048375) is 5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide is CC(O)C(C)NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide?
The InChIKey is JVEVKXOYMCAWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6(7(2)14)13-10(15)8-3-9(11)5-12-4-8/h3-7,14H,1-2H3,(H,13,15).
What are the key properties of 5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide?
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide has a molecular weight of 273.13 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 131048375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).