2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride

C12H18ClN3OS2 — CID 120633463

IUPAC2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NCC2CSCCS2)nc1
InChIInChI=1S/C12H17N3OS2.ClH/c13-9-1-2-10(14-6-9)5-12(16)15-7-11-8-17-3-4-18-11;/h1-2,6,11H,3-5,7-8,13H2,(H,15,16);1H
InChIKeyWRAKMMXXLMITPY-UHFFFAOYSA-N
MW319.88 g/mol
LogP1.59
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride

2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride (PubChem CID 120633463) has the molecular formula C12H18ClN3OS2 and a molecular weight of 319.88 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
PubChem CID120633463
Molecular FormulaC12H18ClN3OS2
Molecular Weight319.88 g/mol
Exact Mass319.06
IUPAC Name2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NCC2CSCCS2)nc1
InChIInChI=1S/C12H17N3OS2.ClH/c13-9-1-2-10(14-6-9)5-12(16)15-7-11-8-17-3-4-18-11;/h1-2,6,11H,3-5,7-8,13H2,(H,15,16);1H
InChIKeyWRAKMMXXLMITPY-UHFFFAOYSA-N
XLogP1.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide
CID 107339832
2-(5-amino-2-pyridinyl)-N-(2-cyclopropylethyl)acetamide;hydrochloride
CID 120633863
2-(5-amino-2-pyridinyl)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride
CID 120634591
2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 120643105
2-(5-amino-2-pyridinyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413069
6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 119999138
2-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107339076
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
2-(5-amino-2-pyridinyl)-N-(2,2-difluoroethyl)acetamide;hydrochloride
CID 120632231
2-(5-amino-2-pyridinyl)-N-[(1-methylcyclopropyl)methyl]acetamide;hydrochloride
CID 120635774
2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
CID 119788268
2-(5-amino-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide
CID 114094154

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride (CID 120633463) is 2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride is Cl.Nc1ccc(CC(=O)NCC2CSCCS2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is WRAKMMXXLMITPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2.ClH/c13-9-1-2-10(14-6-9)5-12(16)15-7-11-8-17-3-4-18-11;/h1-2,6,11H,3-5,7-8,13H2,(H,15,16);1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride?
2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 120633463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).