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

C14H18N2O2S — CID 112663397

IUPAC5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
SMILESCSCCN(C)C(=O)c1cncc(C#CCCO)c1
InChIInChI=1S/C14H18N2O2S/c1-16(6-8-19-2)14(18)13-9-12(10-15-11-13)5-3-4-7-17/h9-11,17H,4,6-8H2,1-2H3
InChIKeyZYSPPJUQSALTHO-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.25
Rot. Bonds5

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

5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide (PubChem CID 112663397) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
PubChem CID112663397
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
SMILESCSCCN(C)C(=O)c1cncc(C#CCCO)c1
InChIInChI=1S/C14H18N2O2S/c1-16(6-8-19-2)14(18)13-9-12(10-15-11-13)5-3-4-7-17/h9-11,17H,4,6-8H2,1-2H3
InChIKeyZYSPPJUQSALTHO-UHFFFAOYSA-N
XLogP1.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-carboxamide
CID 63698983
5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023468
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 115986816
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112663392
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81062814
5-(4-hydroxybut-1-ynyl)-N-propylpyridine-3-carboxamide
CID 54974842
N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
CID 63938139
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
N-[2-(dimethylamino)ethyl]-3-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 63698811
3-(4-hydroxybut-1-ynyl)-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107203178
5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 63927155
4-(5-but-1-ynyl-3-pyridinyl)but-3-yn-1-ol
CID 144746531

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide (CID 112663397) is 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide is CSCCN(C)C(=O)c1cncc(C#CCCO)c1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The InChIKey is ZYSPPJUQSALTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-16(6-8-19-2)14(18)13-9-12(10-15-11-13)5-3-4-7-17/h9-11,17H,4,6-8H2,1-2H3.
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 112663397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).