N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride

C16H20ClN3OS — CID 119516033

IUPACN-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
SMILESCc1ccc(SCCC(=O)Nc2ccc(N)nc2)cc1C.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-11-3-5-14(9-12(11)2)21-8-7-16(20)19-13-4-6-15(17)18-10-13;/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18)(H,19,20);1H
InChIKeyHFVRWBUTAICIND-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.82
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119516033) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
PubChem CID119516033
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC NameN-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
SMILESCc1ccc(SCCC(=O)Nc2ccc(N)nc2)cc1C.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-11-3-5-14(9-12(11)2)21-8-7-16(20)19-13-4-6-15(17)18-10-13;/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18)(H,19,20);1H
InChIKeyHFVRWBUTAICIND-UHFFFAOYSA-N
XLogP3.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide
CID 112802627
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 78890099
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 8638441
N-(6-amino-3-pyridinyl)-3-ethoxypropanamide;hydrochloride
CID 119515208
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide
CID 55982530
3-[(6-amino-3-pyridinyl)sulfanyl]propanehydrazide
CID 63590449
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 43301918
N-(6-amino-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 62901141
N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119516505

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride (CID 119516033) is N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride is Cc1ccc(SCCC(=O)Nc2ccc(N)nc2)cc1C.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is HFVRWBUTAICIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.ClH/c1-11-3-5-14(9-12(11)2)21-8-7-16(20)19-13-4-6-15(17)18-10-13;/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18)(H,19,20);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 337.88 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119516033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).