5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide

C14H17N3OS — CID 62960675

IUPAC5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C#CCN)cn1)C1CCSC1
InChIInChI=1S/C14H17N3OS/c1-17(12-6-8-19-10-12)14(18)13-5-4-11(9-16-13)3-2-7-15/h4-5,9,12H,6-8,10,15H2,1H3
InChIKeyUAFQIBYSLXGXTB-UHFFFAOYSA-N
MW275.38 g/mol
LogP0.97
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide (PubChem CID 62960675) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
PubChem CID62960675
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C#CCN)cn1)C1CCSC1
InChIInChI=1S/C14H17N3OS/c1-17(12-6-8-19-10-12)14(18)13-5-4-11(9-16-13)3-2-7-15/h4-5,9,12H,6-8,10,15H2,1H3
InChIKeyUAFQIBYSLXGXTB-UHFFFAOYSA-N
XLogP0.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
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-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide (CID 62960675) is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide is CN(C(=O)c1ccc(C#CCN)cn1)C1CCSC1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide?
The InChIKey is UAFQIBYSLXGXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-17(12-6-8-19-10-12)14(18)13-5-4-11(9-16-13)3-2-7-15/h4-5,9,12H,6-8,10,15H2,1H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62960675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).