3-bromo-N-pentylpyridine-2-carboxamide

C11H15BrN2O — CID 107517688

IUPAC3-bromo-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ncccc1Br
InChIInChI=1S/C11H15BrN2O/c1-2-3-4-7-14-11(15)10-9(12)6-5-8-13-10/h5-6,8H,2-4,7H2,1H3,(H,14,15)
InChIKeyBNKZZOMQFXIPRH-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.76
Rot. Bonds5

About 3-bromo-N-pentylpyridine-2-carboxamide

3-bromo-N-pentylpyridine-2-carboxamide (PubChem CID 107517688) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-pentylpyridine-2-carboxamide
PubChem CID107517688
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-bromo-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ncccc1Br
InChIInChI=1S/C11H15BrN2O/c1-2-3-4-7-14-11(15)10-9(12)6-5-8-13-10/h5-6,8H,2-4,7H2,1H3,(H,14,15)
InChIKeyBNKZZOMQFXIPRH-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
CID 107517449
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 114078807
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-pentylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-pentylpyridine-2-carboxamide (CID 107517688) is 3-bromo-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-pentylpyridine-2-carboxamide?
The InChIKey is BNKZZOMQFXIPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-2-3-4-7-14-11(15)10-9(12)6-5-8-13-10/h5-6,8H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-pentylpyridine-2-carboxamide?
3-bromo-N-pentylpyridine-2-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 107517688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).