N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C15H20N2O2 — CID 107523135

IUPACN-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1C#CCO)C(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-11(15(2,3)4)17-14(19)13-12(8-6-10-18)7-5-9-16-13/h5,7,9,11,18H,10H2,1-4H3,(H,17,19)
InChIKeyZXVLGGNHDVKMSS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.59
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 107523135) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID107523135
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1C#CCO)C(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-11(15(2,3)4)17-14(19)13-12(8-6-10-18)7-5-9-16-13/h5,7,9,11,18H,10H2,1-4H3,(H,17,19)
InChIKeyZXVLGGNHDVKMSS-UHFFFAOYSA-N
XLogP1.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.59
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

3-(3-aminoprop-1-ynyl)-N-(3,3-dimethylbutan-2-yl)pyridine-2-carboxamide
CID 107524757
3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide
CID 107522733
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107520524
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 107523284
3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide
CID 106021616
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 107523091
3-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 107523195
3-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 107520997
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 107521925
N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107523154
N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107520897
3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-2-carboxamide
CID 107589634

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 107523135) is N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is CC(NC(=O)c1ncccc1C#CCO)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is ZXVLGGNHDVKMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(15(2,3)4)17-14(19)13-12(8-6-10-18)7-5-9-16-13/h5,7,9,11,18H,10H2,1-4H3,(H,17,19).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 107523135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).