6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide

C14H19N3O — CID 114161515

IUPAC6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide
SMILESC#CC(CCC)Nc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C14H19N3O/c1-5-7-12(6-2)16-13-9-8-11(10-15-13)14(18)17(3)4/h2,8-10,12H,5,7H2,1,3-4H3,(H,15,16)
InChIKeyZUMAYPSMFNOACV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.00
Rot. Bonds5

About 6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide

6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 114161515) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide
PubChem CID114161515
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide
SMILESC#CC(CCC)Nc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C14H19N3O/c1-5-7-12(6-2)16-13-9-8-11(10-15-13)14(18)17(3)4/h2,8-10,12H,5,7H2,1,3-4H3,(H,15,16)
InChIKeyZUMAYPSMFNOACV-UHFFFAOYSA-N
XLogP2.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
CID 78956363
5-chloro-N-hex-1-yn-3-ylpyridin-2-amine
CID 106231577
6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 113351620
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide
CID 106231516
6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 62169431
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 103844430
6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 111435885
6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 135107702
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778

Frequently Asked Questions

What is the IUPAC name of 6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide (CID 114161515) is 6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide is C#CC(CCC)Nc1ccc(C(=O)N(C)C)cn1.
What is the InChIKey of 6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is ZUMAYPSMFNOACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-5-7-12(6-2)16-13-9-8-11(10-15-13)14(18)17(3)4/h2,8-10,12H,5,7H2,1,3-4H3,(H,15,16).
What are the key properties of 6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide?
6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 114161515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).