N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide

C11H15N3O2S — CID 81445579

IUPACN-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
SMILESCCCN(CC(N)=S)C(=O)c1ccncc1O
InChIInChI=1S/C11H15N3O2S/c1-2-5-14(7-10(12)17)11(16)8-3-4-13-6-9(8)15/h3-4,6,15H,2,5,7H2,1H3,(H2,12,17)
InChIKeyGITVLCYHIQSAAO-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.93
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide

N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide (PubChem CID 81445579) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
PubChem CID81445579
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
SMILESCCCN(CC(N)=S)C(=O)c1ccncc1O
InChIInChI=1S/C11H15N3O2S/c1-2-5-14(7-10(12)17)11(16)8-3-4-13-6-9(8)15/h3-4,6,15H,2,5,7H2,1H3,(H2,12,17)
InChIKeyGITVLCYHIQSAAO-UHFFFAOYSA-N
XLogP0.93
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446513
N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446026
methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 81443513
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 81443183
N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 103117952
N-(2-amino-2-sulfanylideneethyl)-3-methyl-N-propylpyridine-2-carboxamide
CID 62338785
N-(2-amino-2-sulfanylideneethyl)-3-chloro-2-methyl-N-propylbenzamide
CID 107096826
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 81241040
N-ethyl-3-hydrazinyl-N-propylpyridine-4-carboxamide
CID 105072006
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
CID 66464783

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide (CID 81445579) is N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide is CCCN(CC(N)=S)C(=O)c1ccncc1O.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
The InChIKey is GITVLCYHIQSAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-5-14(7-10(12)17)11(16)8-3-4-13-6-9(8)15/h3-4,6,15H,2,5,7H2,1H3,(H2,12,17).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 81445579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).