5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide

C16H16N2O2S — CID 63309416

IUPAC5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1cccnc1CNC(=O)c1ccc(C#CCCO)s1
InChIInChI=1S/C16H16N2O2S/c1-12-5-4-9-17-14(12)11-18-16(20)15-8-7-13(21-15)6-2-3-10-19/h4-5,7-9,19H,3,10-11H2,1H3,(H,18,20)
InChIKeyNEIZNXGGAOERJE-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.12
Rot. Bonds4

About 5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 63309416) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID63309416
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1cccnc1CNC(=O)c1ccc(C#CCCO)s1
InChIInChI=1S/C16H16N2O2S/c1-12-5-4-9-17-14(12)11-18-16(20)15-8-7-13(21-15)6-2-3-10-19/h4-5,7-9,19H,3,10-11H2,1H3,(H,18,20)
InChIKeyNEIZNXGGAOERJE-UHFFFAOYSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.12
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-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 62842092
5-(4-hydroxybut-1-ynyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
CID 64523761
N-[(3-chlorophenyl)methyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 62532102
N-[2-(dimethylsulfamoyl)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106342113
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075989
5-(3-hydroxyprop-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 62842091
5-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-2-carboxamide
CID 63564139
2-[[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]amino]ethyl carbamate
CID 83204803
N-(cyclohexylmethyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075104
5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide
CID 61074909
N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61076001
N-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide
CID 65215678

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide (CID 63309416) is 5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide is Cc1cccnc1CNC(=O)c1ccc(C#CCCO)s1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is NEIZNXGGAOERJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-12-5-4-9-17-14(12)11-18-16(20)15-8-7-13(21-15)6-2-3-10-19/h4-5,7-9,19H,3,10-11H2,1H3,(H,18,20).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.12, 4 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-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 63309416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).