5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide

C11H11BrN2O — CID 103579168

IUPAC5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide
SMILESC#CC(CC)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H11BrN2O/c1-3-9(4-2)14-11(15)10-6-5-8(12)7-13-10/h1,5-7,9H,4H2,2H3,(H,14,15)
InChIKeySBJQYWNWDDRHLN-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.99
Rot. Bonds3

About 5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide

5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide (PubChem CID 103579168) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide
PubChem CID103579168
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide
SMILESC#CC(CC)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H11BrN2O/c1-3-9(4-2)14-11(15)10-6-5-8(12)7-13-10/h1,5-7,9H,4H2,2H3,(H,14,15)
InChIKeySBJQYWNWDDRHLN-UHFFFAOYSA-N
XLogP1.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
CID 114294391
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
CID 62959350
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
6-(hex-1-yn-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106232900
N-pent-1-yn-3-yl-1,2-oxazole-3-carboxamide
CID 103579377
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide (CID 103579168) is 5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide is C#CC(CC)NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide?
The InChIKey is SBJQYWNWDDRHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-3-9(4-2)14-11(15)10-6-5-8(12)7-13-10/h1,5-7,9H,4H2,2H3,(H,14,15).
What are the key properties of 5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide?
5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide has a molecular weight of 267.13 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pent-1-yn-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 103579168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).