5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide

C15H14N2O2S — CID 79982128

IUPAC5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccnc2)sc1C#CCCO
InChIInChI=1S/C15H14N2O2S/c1-11-9-14(20-13(11)6-2-3-8-18)15(19)17-12-5-4-7-16-10-12/h4-5,7,9-10,18H,3,8H2,1H3,(H,17,19)
InChIKeyDVQDHWPYTQJRCI-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.44
Rot. Bonds3

About 5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide

5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 79982128) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide
PubChem CID79982128
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccnc2)sc1C#CCCO
InChIInChI=1S/C15H14N2O2S/c1-11-9-14(20-13(11)6-2-3-8-18)15(19)17-12-5-4-7-16-10-12/h4-5,7,9-10,18H,3,8H2,1H3,(H,17,19)
InChIKeyDVQDHWPYTQJRCI-UHFFFAOYSA-N
XLogP2.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-yl)-4-methylthiophene-2-carboxamide
CID 79990264
5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-carboxamide
CID 107589658
N-(3-ethylpentan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79977682
3-chloro-4-(4-hydroxybut-1-ynyl)-N-pyridin-3-ylbenzamide
CID 81288851
N-(4-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79982137
N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79981172
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
CID 79989757
N-(2,6-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79976223
5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide
CID 79990310
N-(3,5-difluorophenyl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79976218
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106346955
5-(3-aminoprop-1-ynyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-carboxamide
CID 79976889

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide (CID 79982128) is 5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cccnc2)sc1C#CCCO.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is DVQDHWPYTQJRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-9-14(20-13(11)6-2-3-8-18)15(19)17-12-5-4-7-16-10-12/h4-5,7,9-10,18H,3,8H2,1H3,(H,17,19).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.44, 3 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)-4-methyl-N-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 79982128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).