5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide

C15H15N3OS — CID 79696529

IUPAC5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(C#CCN)c1)c1ccccn1
InChIInChI=1S/C15H15N3OS/c1-11(14-6-2-3-8-17-14)18-15(19)12-9-13(20-10-12)5-4-7-16/h2-3,6,8-11H,7,16H2,1H3,(H,18,19)
InChIKeyGHMPHIMGZFJHRX-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.94
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide (PubChem CID 79696529) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide
PubChem CID79696529
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(C#CCN)c1)c1ccccn1
InChIInChI=1S/C15H15N3OS/c1-11(14-6-2-3-8-17-14)18-15(19)12-9-13(20-10-12)5-4-7-16/h2-3,6,8-11H,7,16H2,1H3,(H,18,19)
InChIKeyGHMPHIMGZFJHRX-UHFFFAOYSA-N
XLogP1.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.94
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-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696254
5-(3-aminoprop-1-ynyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 79684443
5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 79977285
5-(3-aminoprop-1-ynyl)-N-[1-(furan-2-yl)ethyl]thiophene-3-carboxamide
CID 79696391
5-(3-hydroxyprop-1-ynyl)-N-[1-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 79696788
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]propanoate
CID 79684750
5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide
CID 79691515
5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
CID 79696864
5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide
CID 79683789
5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 79684370
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-(2-phenylethynyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645517

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide (CID 79696529) is 5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide is CC(NC(=O)c1csc(C#CCN)c1)c1ccccn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide?
The InChIKey is GHMPHIMGZFJHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11(14-6-2-3-8-17-14)18-15(19)12-9-13(20-10-12)5-4-7-16/h2-3,6,8-11H,7,16H2,1H3,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79696529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).