5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide

C15H20N2O2S — CID 63960546

IUPAC5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCSCC(C)CNC(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C15H20N2O2S/c1-12(11-20-2)9-17-15(19)14-7-6-13(10-16-14)5-3-4-8-18/h6-7,10,12,18H,4,8-9,11H2,1-2H3,(H,17,19)
InChIKeyNHFUCHWUDADWGD-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.54
Rot. Bonds6

About 5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide (PubChem CID 63960546) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
PubChem CID63960546
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCSCC(C)CNC(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C15H20N2O2S/c1-12(11-20-2)9-17-15(19)14-7-6-13(10-16-14)5-3-4-8-18/h6-7,10,12,18H,4,8-9,11H2,1-2H3,(H,17,19)
InChIKeyNHFUCHWUDADWGD-UHFFFAOYSA-N
XLogP1.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63958188
N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959512
5-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 55152113
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959339
5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62960232
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957
5-(4-hydroxybut-1-ynyl)-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62960261
5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960751
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62960597
5-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 55151928
5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62959533
N-(3-ethoxypropyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959692

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide (CID 63960546) is 5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide is CSCC(C)CNC(=O)c1ccc(C#CCCO)cn1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
The InChIKey is NHFUCHWUDADWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12(11-20-2)9-17-15(19)14-7-6-13(10-16-14)5-3-4-8-18/h6-7,10,12,18H,4,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 63960546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).