N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide

C13H16N2O2 — CID 135084117

IUPACN-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cnccc1C#CCO
InChIInChI=1S/C13H16N2O2/c1-13(2,3)12(17)15-11-9-14-7-6-10(11)5-4-8-16/h6-7,9,16H,8H2,1-3H3,(H,15,17)
InChIKeyGZVGFKKNIDDDKR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.41
Rot. Bonds1

About N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide

N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 135084117) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID135084117
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cnccc1C#CCO
InChIInChI=1S/C13H16N2O2/c1-13(2,3)12(17)15-11-9-14-7-6-10(11)5-4-8-16/h6-7,9,16H,8H2,1-3H3,(H,15,17)
InChIKeyGZVGFKKNIDDDKR-UHFFFAOYSA-N
XLogP1.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 60804187
tert-butyl N-[4-(3-pyrrolidin-1-ylprop-1-ynyl)-3-pyridinyl]carbamate
CID 86603563
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 81270405
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358
N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 2779664
4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
CID 6932609
N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482247
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103021924
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]pyrazine-2-carboxamide
CID 62200861
3-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 63798029

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide (CID 135084117) is N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cnccc1C#CCO.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is GZVGFKKNIDDDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)12(17)15-11-9-14-7-6-10(11)5-4-8-16/h6-7,9,16H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide?
N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 232.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 135084117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).