N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide

C11H14ClN3OS — CID 66464783

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
SMILESCCN(CCC(N)=S)C(=O)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3OS/c1-2-15(6-4-10(13)17)11(16)8-3-5-14-7-9(8)12/h3,5,7H,2,4,6H2,1H3,(H2,13,17)
InChIKeyTXUOZWXOWTYUIW-UHFFFAOYSA-N
MW271.77 g/mol
LogP1.87
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide (PubChem CID 66464783) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
PubChem CID66464783
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
SMILESCCN(CCC(N)=S)C(=O)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3OS/c1-2-15(6-4-10(13)17)11(16)8-3-5-14-7-9(8)12/h3,5,7H,2,4,6H2,1H3,(H2,13,17)
InChIKeyTXUOZWXOWTYUIW-UHFFFAOYSA-N
XLogP1.87
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-2-chloro-N-ethylbenzamide
CID 54988663
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-N-ethylfuran-3-carboxamide
CID 106684907
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-chloro-N-methylpyridine-4-carboxamide
CID 66463013
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
CID 54988318
3-[(3-chloro-4-pyridinyl)-ethylamino]propanethioamide
CID 79841086
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105063523

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide (CID 66464783) is N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide is CCN(CCC(N)=S)C(=O)c1ccncc1Cl.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide?
The InChIKey is TXUOZWXOWTYUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-2-15(6-4-10(13)17)11(16)8-3-5-14-7-9(8)12/h3,5,7H,2,4,6H2,1H3,(H2,13,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide has a molecular weight of 271.77 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 66464783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).