2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide

C13H19N3OS — CID 113380992

IUPAC2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCSC2)cc(N)n1
InChIInChI=1S/C13H19N3OS/c1-3-10-6-9(7-12(14)15-10)13(17)16(2)11-4-5-18-8-11/h6-7,11H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyRVYKJAIXDBTAEI-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide

2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide (PubChem CID 113380992) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
PubChem CID113380992
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCSC2)cc(N)n1
InChIInChI=1S/C13H19N3OS/c1-3-10-6-9(7-12(14)15-10)13(17)16(2)11-4-5-18-8-11/h6-7,11H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyRVYKJAIXDBTAEI-UHFFFAOYSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide (CID 113380992) is 2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide is CCc1cc(C(=O)N(C)C2CCSC2)cc(N)n1.
What is the InChIKey of 2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide?
The InChIKey is RVYKJAIXDBTAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-10-6-9(7-12(14)15-10)13(17)16(2)11-4-5-18-8-11/h6-7,11H,3-5,8H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide?
2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 113380992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).