N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide

C13H16N2O — CID 103529100

IUPACN-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide
SMILESC#CC(CCC)NC(=O)c1cncc(C)c1
InChIInChI=1S/C13H16N2O/c1-4-6-12(5-2)15-13(16)11-7-10(3)8-14-9-11/h2,7-9,12H,4,6H2,1,3H3,(H,15,16)
InChIKeyYQQBESIALFEMEE-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds4

About N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide

N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide (PubChem CID 103529100) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide
PubChem CID103529100
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide
SMILESC#CC(CCC)NC(=O)c1cncc(C)c1
InChIInChI=1S/C13H16N2O/c1-4-6-12(5-2)15-13(16)11-7-10(3)8-14-9-11/h2,7-9,12H,4,6H2,1,3H3,(H,15,16)
InChIKeyYQQBESIALFEMEE-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

N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide
CID 114390011
3-amino-N-hex-1-yn-3-yl-5-methylbenzamide
CID 114160355
N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide
CID 103528937
2-chloro-N-hex-1-yn-3-yl-6-methylpyridine-4-carboxamide
CID 103528396
4-amino-N-hex-1-yn-3-yl-3-methylbenzamide
CID 114160341
5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide
CID 71920433
4-tert-butyl-N-hex-1-yn-3-ylbenzamide
CID 106228291
5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
CID 164641680
3-amino-N-hex-1-yn-3-ylbenzamide
CID 106223490
N-hex-1-yn-3-yl-4,5-dimethylthiophene-2-carboxamide
CID 103529059
5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide
CID 90941953
6-(hex-1-yn-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106232900

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide?
The IUPAC name of N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide (CID 103529100) is N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide is C#CC(CCC)NC(=O)c1cncc(C)c1.
What is the InChIKey of N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide?
The InChIKey is YQQBESIALFEMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-6-12(5-2)15-13(16)11-7-10(3)8-14-9-11/h2,7-9,12H,4,6H2,1,3H3,(H,15,16).
What are the key properties of N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide?
N-hex-1-yn-3-yl-5-methylpyridine-3-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-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 103529100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).