5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide

C15H15N3OS — CID 79989819

IUPAC5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccncc1NC(=O)c1cc(C)c(C#CCN)s1
InChIInChI=1S/C15H15N3OS/c1-10-5-7-17-9-12(10)18-15(19)14-8-11(2)13(20-14)4-3-6-16/h5,7-9H,6,16H2,1-2H3,(H,18,19)
InChIKeyCIXLBJVEFICZMH-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.32
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 79989819) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID79989819
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccncc1NC(=O)c1cc(C)c(C#CCN)s1
InChIInChI=1S/C15H15N3OS/c1-10-5-7-17-9-12(10)18-15(19)14-8-11(2)13(20-14)4-3-6-16/h5,7-9H,6,16H2,1-2H3,(H,18,19)
InChIKeyCIXLBJVEFICZMH-UHFFFAOYSA-N
XLogP2.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.32
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)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide (CID 79989819) is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide is Cc1ccncc1NC(=O)c1cc(C)c(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is CIXLBJVEFICZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-5-7-17-9-12(10)18-15(19)14-8-11(2)13(20-14)4-3-6-16/h5,7-9H,6,16H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.32, 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)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 79989819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).