2-bromo-N-pentan-3-ylpyridine-3-carboxamide

C11H15BrN2O — CID 103751829

IUPAC2-bromo-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)NC(=O)c1cccnc1Br
InChIInChI=1S/C11H15BrN2O/c1-3-8(4-2)14-11(15)9-6-5-7-13-10(9)12/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyLZNJGZPLJWSJJW-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.76
Rot. Bonds4

About 2-bromo-N-pentan-3-ylpyridine-3-carboxamide

2-bromo-N-pentan-3-ylpyridine-3-carboxamide (PubChem CID 103751829) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-bromo-N-pentan-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-pentan-3-ylpyridine-3-carboxamide
PubChem CID103751829
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-bromo-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)NC(=O)c1cccnc1Br
InChIInChI=1S/C11H15BrN2O/c1-3-8(4-2)14-11(15)9-6-5-7-13-10(9)12/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyLZNJGZPLJWSJJW-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103755507
2-bromo-N-(1-cyanobutan-2-yl)pyridine-3-carboxamide
CID 104694857
2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide
CID 103755069
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
CID 103752619
2-[(2-bromopyridine-3-carbonyl)amino]hexanoic acid
CID 104543371
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
CID 103945105
methyl 2-[(2-bromopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 103752237
(2S)-2-[(2-bromopyridine-3-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 114036704
2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 103752610
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pentan-3-ylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-pentan-3-ylpyridine-3-carboxamide (CID 103751829) is 2-bromo-N-pentan-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-pentan-3-ylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-pentan-3-ylpyridine-3-carboxamide is CCC(CC)NC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-pentan-3-ylpyridine-3-carboxamide?
The InChIKey is LZNJGZPLJWSJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-8(4-2)14-11(15)9-6-5-7-13-10(9)12/h5-8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-pentan-3-ylpyridine-3-carboxamide?
2-bromo-N-pentan-3-ylpyridine-3-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pentan-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 103751829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).