N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide

C13H19N3O3S — CID 105063523

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCN(CCC(N)=S)C(=O)c1ccncc1OC
InChIInChI=1S/C13H19N3O3S/c1-18-8-7-16(6-4-12(14)20)13(17)10-3-5-15-9-11(10)19-2/h3,5,9H,4,6-8H2,1-2H3,(H2,14,20)
InChIKeyGUUYVPNGOJKQSS-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.86
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide (PubChem CID 105063523) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide
PubChem CID105063523
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCN(CCC(N)=S)C(=O)c1ccncc1OC
InChIInChI=1S/C13H19N3O3S/c1-18-8-7-16(6-4-12(14)20)13(17)10-3-5-15-9-11(10)19-2/h3,5,9H,4,6-8H2,1-2H3,(H2,14,20)
InChIKeyGUUYVPNGOJKQSS-UHFFFAOYSA-N
XLogP0.86
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-hydroxy-N-(2-methoxyethyl)benzamide
CID 63287068
N-(3-amino-3-sulfanylidenepropyl)-2-fluoro-6-methoxy-N-(2-methoxyethyl)benzamide
CID 65433055
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-4-methoxy-N-(2-methoxyethyl)benzamide
CID 63287221
N-(3-amino-3-sulfanylidenepropyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 63287621
N-(3-amino-3-sulfanylidenepropyl)-2,4-difluoro-N-(2-methoxyethyl)benzamide
CID 63287156
methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 79078825
N-(3-amino-3-sulfanylidenepropyl)-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 63287434
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
CID 66464783
N-(3-amino-3-sulfanylidenepropyl)-5-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 104785884
N-(3-amino-3-sulfanylidenepropyl)-2-fluoro-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 107676080
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 63287312
N-(3-amino-3-sulfanylidenepropyl)-4-iodo-N-(2-methoxyethyl)benzamide
CID 63287439

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide (CID 105063523) is N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide is COCCN(CCC(N)=S)C(=O)c1ccncc1OC.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide?
The InChIKey is GUUYVPNGOJKQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-18-8-7-16(6-4-12(14)20)13(17)10-3-5-15-9-11(10)19-2/h3,5,9H,4,6-8H2,1-2H3,(H2,14,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105063523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).