5-bromo-N-butan-2-ylpyridine-3-carboxamide

C10H13BrN2O — CID 19172282

IUPAC5-bromo-N-butan-2-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-3-7(2)13-10(14)8-4-9(11)6-12-5-8/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyHAIVXXQQGIBYJG-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.37
Rot. Bonds3

About 5-bromo-N-butan-2-ylpyridine-3-carboxamide

5-bromo-N-butan-2-ylpyridine-3-carboxamide (PubChem CID 19172282) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-N-butan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-butan-2-ylpyridine-3-carboxamide
PubChem CID19172282
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name5-bromo-N-butan-2-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-3-7(2)13-10(14)8-4-9(11)6-12-5-8/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyHAIVXXQQGIBYJG-UHFFFAOYSA-N
XLogP2.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-butan-2-ylpyridine-3-carboxamide (CID 19172282) is 5-bromo-N-butan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-butan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-butan-2-ylpyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-butan-2-ylpyridine-3-carboxamide?
The InChIKey is HAIVXXQQGIBYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-3-7(2)13-10(14)8-4-9(11)6-12-5-8/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-butan-2-ylpyridine-3-carboxamide?
5-bromo-N-butan-2-ylpyridine-3-carboxamide has a molecular weight of 257.13 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 19172282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).