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

C15H15N3OS — CID 63799852

IUPAC3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1C#CCN)c1ccncc1
InChIInChI=1S/C15H15N3OS/c1-11(12-4-8-17-9-5-12)18-15(19)14-13(3-2-7-16)6-10-20-14/h4-6,8-11H,7,16H2,1H3,(H,18,19)
InChIKeyADHFJAKYGMPOSP-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.94
Rot. Bonds3

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

3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 63799852) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
PubChem CID63799852
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1C#CCN)c1ccncc1
InChIInChI=1S/C15H15N3OS/c1-11(12-4-8-17-9-5-12)18-15(19)14-13(3-2-7-16)6-10-20-14/h4-6,8-11H,7,16H2,1H3,(H,18,19)
InChIKeyADHFJAKYGMPOSP-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

3-(3-aminoprop-1-ynyl)-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 63801608
3-(3-aminoprop-1-ynyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 79230881
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696254
3-(3-aminoprop-1-ynyl)-N-(1-methylsulfonylpropan-2-yl)thiophene-2-carboxamide
CID 64641904
3-(3-hydroxyprop-1-ynyl)-N-(1-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 63796815
3-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-2-carboxamide
CID 63800405
3-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-2-carboxamide
CID 63799865
3-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylthiophene-2-carboxamide
CID 63801441
3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 66483662
3-(3-aminoprop-1-ynyl)-N-(2-methylsulfinylpropyl)thiophene-2-carboxamide
CID 113484459
3-(4-hydroxybut-1-ynyl)-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 63796920
3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide
CID 63801072

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide (CID 63799852) is 3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide is CC(NC(=O)c1sccc1C#CCN)c1ccncc1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is ADHFJAKYGMPOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11(12-4-8-17-9-5-12)18-15(19)14-13(3-2-7-16)6-10-20-14/h4-6,8-11H,7,16H2,1H3,(H,18,19).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-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 3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63799852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).