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

C16H16N2O2S — CID 79692610

IUPAC5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1csc(C#CCCO)c1
InChIInChI=1S/C16H16N2O2S/c1-18(11-14-6-2-4-8-17-14)16(20)13-10-15(21-12-13)7-3-5-9-19/h2,4,6,8,10,12,19H,5,9,11H2,1H3
InChIKeyPAWFCIVIBSMJSI-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.15
Rot. Bonds4

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

5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 79692610) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
PubChem CID79692610
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1csc(C#CCCO)c1
InChIInChI=1S/C16H16N2O2S/c1-18(11-14-6-2-4-8-17-14)16(20)13-10-15(21-12-13)7-3-5-9-19/h2,4,6,8,10,12,19H,5,9,11H2,1H3
InChIKeyPAWFCIVIBSMJSI-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-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

methyl 2-[[5-(4-hydroxybut-1-ynyl)thiophene-3-carbonyl]-methylamino]acetate
CID 79696062
5-(4-hydroxybut-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 79696129
5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)-N-methylthiophene-3-carboxamide
CID 79696690
5-(4-hydroxybut-1-ynyl)-N-[(2-methylphenyl)methyl]thiophene-3-carboxamide
CID 79689878
CID 69258575
CID 69258575
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
potassium;hydride;N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 173152580
N-[4-(dimethylamino)butyl]-5-(4-hydroxybut-1-ynyl)thiophene-3-carboxamide
CID 79696499
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 79692421
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 104627774

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide (CID 79692610) is 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide is CN(Cc1ccccn1)C(=O)c1csc(C#CCCO)c1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is PAWFCIVIBSMJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18(11-14-6-2-4-8-17-14)16(20)13-10-15(21-12-13)7-3-5-9-19/h2,4,6,8,10,12,19H,5,9,11H2,1H3.
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.15, 4 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-(pyridin-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79692610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).