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

C14H12N2O2S — CID 63797936

IUPAC3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccncc1)c1sccc1C#CCCO
InChIInChI=1S/C14H12N2O2S/c17-9-2-1-3-11-6-10-19-13(11)14(18)16-12-4-7-15-8-5-12/h4-8,10,17H,2,9H2,(H,15,16,18)
InChIKeyOGYILEJSJSSFDP-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.13
Rot. Bonds3

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

3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 63797936) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide
PubChem CID63797936
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccncc1)c1sccc1C#CCCO
InChIInChI=1S/C14H12N2O2S/c17-9-2-1-3-11-6-10-19-13(11)14(18)16-12-4-7-15-8-5-12/h4-8,10,17H,2,9H2,(H,15,16,18)
InChIKeyOGYILEJSJSSFDP-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.13
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

N-(4-cyanophenyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63797438
N-(3,5-difluorophenyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63796739
N-(3-fluoro-5-methylphenyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 79046243
3-(4-hydroxybut-1-ynyl)-N-(thiatriazol-5-yl)thiophene-2-carboxamide
CID 114913782
3-(4-hydroxybut-1-ynyl)-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 63796576
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)thiophene-2-carboxamide
CID 55239540
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 63797533
N-(2,4-dichlorophenyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63797772
3-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 63797586
3-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylthiophene-2-carboxamide
CID 63798682
N-(4-carbamoylphenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63797944
3-(4-hydroxybut-1-ynyl)-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 63796920

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide (CID 63797936) is 3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide is O=C(Nc1ccncc1)c1sccc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is OGYILEJSJSSFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-9-2-1-3-11-6-10-19-13(11)14(18)16-12-4-7-15-8-5-12/h4-8,10,17H,2,9H2,(H,15,16,18).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 63797936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).