3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide

C16H16N2O2S — CID 63796409

IUPAC3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1sccc1C#CCO
InChIInChI=1S/C16H16N2O2S/c1-18(10-6-13-4-8-17-9-5-13)16(20)15-14(3-2-11-19)7-12-21-15/h4-5,7-9,12,19H,6,10-11H2,1H3
InChIKeyXQJYQDSERJUPTF-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.80
Rot. Bonds4

About 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 63796409) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
PubChem CID63796409
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1sccc1C#CCO
InChIInChI=1S/C16H16N2O2S/c1-18(10-6-13-4-8-17-9-5-13)16(20)15-14(3-2-11-19)7-12-21-15/h4-5,7-9,12,19H,6,10-11H2,1H3
InChIKeyXQJYQDSERJUPTF-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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

3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 106917655
N-(2-ethoxyethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylthiophene-2-carboxamide
CID 81062453
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 63797469
N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47084176
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
CID 63960346
N,3-dimethyl-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 110695643
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110852596
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
CID 112663407
3-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 63796407
2-(methoxymethyl)-N,4-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110374824
N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387096
3-(3-hydroxyprop-1-ynyl)-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 63797095

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide (CID 63796409) is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide is CN(CCc1ccncc1)C(=O)c1sccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is XQJYQDSERJUPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18(10-6-13-4-8-17-9-5-13)16(20)15-14(3-2-11-19)7-12-21-15/h4-5,7-9,12,19H,6,10-11H2,1H3.
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63796409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).