5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide

C14H13N3OS — CID 79684370

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide
SMILESCc1ncccc1NC(=O)c1csc(C#CCN)c1
InChIInChI=1S/C14H13N3OS/c1-10-13(5-3-7-16-10)17-14(18)11-8-12(19-9-11)4-2-6-15/h3,5,7-9H,6,15H2,1H3,(H,17,18)
InChIKeyPDBMNFDXXKNYJT-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.01
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide (PubChem CID 79684370) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide
PubChem CID79684370
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide
SMILESCc1ncccc1NC(=O)c1csc(C#CCN)c1
InChIInChI=1S/C14H13N3OS/c1-10-13(5-3-7-16-10)17-14(18)11-8-12(19-9-11)4-2-6-15/h3,5,7-9H,6,15H2,1H3,(H,17,18)
InChIKeyPDBMNFDXXKNYJT-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide (CID 79684370) is 5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide is Cc1ncccc1NC(=O)c1csc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide?
The InChIKey is PDBMNFDXXKNYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-13(5-3-7-16-10)17-14(18)11-8-12(19-9-11)4-2-6-15/h3,5,7-9H,6,15H2,1H3,(H,17,18).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.01, 2 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-methyl-3-pyridinyl)thiophene-3-carboxamide is sourced from PubChem (CID 79684370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).