6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride

C11H16ClN3OS2 — CID 119999138

IUPAC6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCC2CSCCS2)n1
InChIInChI=1S/C11H15N3OS2.ClH/c12-10-3-1-2-9(14-10)11(15)13-6-8-7-16-4-5-17-8;/h1-3,8H,4-7H2,(H2,12,14)(H,13,15);1H
InChIKeyNTFVJFXJMDEJTK-UHFFFAOYSA-N
MW305.86 g/mol
LogP1.66
Rot. Bonds3

About 6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride

6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride (PubChem CID 119999138) has the molecular formula C11H16ClN3OS2 and a molecular weight of 305.86 g/mol. Its IUPAC name is 6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride
PubChem CID119999138
Molecular FormulaC11H16ClN3OS2
Molecular Weight305.86 g/mol
Exact Mass305.04
IUPAC Name6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCC2CSCCS2)n1
InChIInChI=1S/C11H15N3OS2.ClH/c12-10-3-1-2-9(14-10)11(15)13-6-8-7-16-4-5-17-8;/h1-3,8H,4-7H2,(H2,12,14)(H,13,15);1H
InChIKeyNTFVJFXJMDEJTK-UHFFFAOYSA-N
XLogP1.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.86
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 80586141
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N-(1,4-dithian-2-ylmethyl)-5-hydrazinylpyrazine-2-carboxamide
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2-cyclopentyl-N-[[(2R)-1,4-dithian-2-yl]methyl]pyrimidine-4-carboxamide
CID 99703901
N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide
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N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide
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2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
CID 119788268
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridine-3-carboxamide
CID 115687003
6-amino-N-[(1-ethylcyclopropyl)methyl]pyridine-2-carboxamide;hydrochloride
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CID 113489585

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride (CID 119999138) is 6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride is Cl.Nc1cccc(C(=O)NCC2CSCCS2)n1.
What is the InChIKey of 6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is NTFVJFXJMDEJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2.ClH/c12-10-3-1-2-9(14-10)11(15)13-6-8-7-16-4-5-17-8;/h1-3,8H,4-7H2,(H2,12,14)(H,13,15);1H.
What are the key properties of 6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride?
6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 305.86 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119999138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).