2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide

C14H22N4OS — CID 106327147

IUPAC2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCCN2CCSCC2)cc(N)n1
InChIInChI=1S/C14H22N4OS/c1-2-12-9-11(10-13(15)17-12)14(19)16-3-4-18-5-7-20-8-6-18/h9-10H,2-8H2,1H3,(H2,15,17)(H,16,19)
InChIKeyKTJPMCXKZOVTMD-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.00
Rot. Bonds5

About 2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide

2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 106327147) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
PubChem CID106327147
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCCN2CCSCC2)cc(N)n1
InChIInChI=1S/C14H22N4OS/c1-2-12-9-11(10-13(15)17-12)14(19)16-3-4-18-5-7-20-8-6-18/h9-10H,2-8H2,1H3,(H2,15,17)(H,16,19)
InChIKeyKTJPMCXKZOVTMD-UHFFFAOYSA-N
XLogP1.00
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide (CID 106327147) is 2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide is CCc1cc(C(=O)NCCN2CCSCC2)cc(N)n1.
What is the InChIKey of 2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is KTJPMCXKZOVTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-2-12-9-11(10-13(15)17-12)14(19)16-3-4-18-5-7-20-8-6-18/h9-10H,2-8H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of 2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide?
2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 106327147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).