5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide

C15H15N3OS — CID 61075669

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCCc2ccncc2)s1
InChIInChI=1S/C15H15N3OS/c16-8-1-2-13-3-4-14(20-13)15(19)18-11-7-12-5-9-17-10-6-12/h3-6,9-10H,7-8,11,16H2,(H,18,19)
InChIKeyWHXFOGYISNUSTI-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.43
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 61075669) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
PubChem CID61075669
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCCc2ccncc2)s1
InChIInChI=1S/C15H15N3OS/c16-8-1-2-13-3-4-14(20-13)15(19)18-11-7-12-5-9-17-10-6-12/h3-6,9-10H,7-8,11,16H2,(H,18,19)
InChIKeyWHXFOGYISNUSTI-UHFFFAOYSA-N
XLogP1.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.43
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-(2-phenylethyl)thiophene-2-carboxamide
CID 61075127
5-(3-aminoprop-1-ynyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 64523961
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 114957354
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63961405
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 62953500
5-(3-aminoprop-1-ynyl)-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 106326823
5-(4-hydroxybut-1-ynyl)-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 61475907
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentyloxyethyl)thiophene-2-carboxamide
CID 63834263
5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide
CID 61076019
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 61075844

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide (CID 61075669) is 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide is NCC#Cc1ccc(C(=O)NCCc2ccncc2)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is WHXFOGYISNUSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-8-1-2-13-3-4-14(20-13)15(19)18-11-7-12-5-9-17-10-6-12/h3-6,9-10H,7-8,11,16H2,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.43, 4 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-(2-pyridin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61075669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).