N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide

C13H16N2O — CID 103528407

IUPACN-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide
SMILESC#CC(CCC)NC(=O)c1cccc(C)n1
InChIInChI=1S/C13H16N2O/c1-4-7-11(5-2)15-13(16)12-9-6-8-10(3)14-12/h2,6,8-9,11H,4,7H2,1,3H3,(H,15,16)
InChIKeyDGGMRIYGTKKGEN-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds4

About N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide

N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide (PubChem CID 103528407) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide
PubChem CID103528407
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide
SMILESC#CC(CCC)NC(=O)c1cccc(C)n1
InChIInChI=1S/C13H16N2O/c1-4-7-11(5-2)15-13(16)12-9-6-8-10(3)14-12/h2,6,8-9,11H,4,7H2,1,3H3,(H,15,16)
InChIKeyDGGMRIYGTKKGEN-UHFFFAOYSA-N
XLogP1.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.92
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

2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
6-methyl-N-[(4S)-5-oxooctan-4-yl]pyridine-2-carboxamide
CID 132942332
N-hex-1-yn-3-ylthiadiazole-4-carboxamide
CID 103529036
6-(hex-1-yn-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106232900
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 114294381
2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide
CID 103528693
2-chloro-N-hex-1-yn-3-yl-6-methylpyridine-4-carboxamide
CID 103528396
2-amino-N-hex-1-yn-3-yl-6-methylbenzamide
CID 106223431
3-amino-N-hex-1-yn-3-ylbenzamide
CID 106223490
6-(hex-1-yn-3-ylamino)pyridine-2-carboxylic acid
CID 106231059
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 114177913
4-tert-butyl-N-hex-1-yn-3-ylbenzamide
CID 106228291

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide?
The IUPAC name of N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide (CID 103528407) is N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide is C#CC(CCC)NC(=O)c1cccc(C)n1.
What is the InChIKey of N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide?
The InChIKey is DGGMRIYGTKKGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-7-11(5-2)15-13(16)12-9-6-8-10(3)14-12/h2,6,8-9,11H,4,7H2,1,3H3,(H,15,16).
What are the key properties of N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide?
N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 103528407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).