N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide

C14H16N4O2S — CID 63380463

IUPACN-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2cnccn2)c(N)c1
InChIInChI=1S/C14H16N4O2S/c1-9(21-13-8-16-5-6-17-13)14(19)18-12-4-3-10(20-2)7-11(12)15/h3-9H,15H2,1-2H3,(H,18,19)
InChIKeyQBIJUOMBUSXCGQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.19
Rot. Bonds5

About N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide

N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide (PubChem CID 63380463) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide
PubChem CID63380463
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2cnccn2)c(N)c1
InChIInChI=1S/C14H16N4O2S/c1-9(21-13-8-16-5-6-17-13)14(19)18-12-4-3-10(20-2)7-11(12)15/h3-9H,15H2,1-2H3,(H,18,19)
InChIKeyQBIJUOMBUSXCGQ-UHFFFAOYSA-N
XLogP2.19
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide
CID 63381129
N-(2-amino-4-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 61218915
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
N-(2-amino-4-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)propanamide
CID 79683036
N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 102921224
N-(2-amino-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16786257
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
2-amino-4-methoxy-N-pyrazin-2-ylbenzamide
CID 113305136
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355441
N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569639

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide (CID 63380463) is N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide is COc1ccc(NC(=O)C(C)Sc2cnccn2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide?
The InChIKey is QBIJUOMBUSXCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9(21-13-8-16-5-6-17-13)14(19)18-12-4-3-10(20-2)7-11(12)15/h3-9H,15H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide?
N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide has a molecular weight of 304.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide is sourced from PubChem (CID 63380463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).