N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride

C17H22ClN3OS — CID 119515772

IUPACN-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride
SMILESCC(C)C(SCc1ccccc1)C(=O)Nc1ccc(N)nc1.Cl
InChIInChI=1S/C17H21N3OS.ClH/c1-12(2)16(22-11-13-6-4-3-5-7-13)17(21)20-14-8-9-15(18)19-10-14;/h3-10,12,16H,11H2,1-2H3,(H2,18,19)(H,20,21);1H
InChIKeyYJWILNAFTOZZLY-UHFFFAOYSA-N
MW351.90 g/mol
LogP3.98
Rot. Bonds6

About N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride

N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride (PubChem CID 119515772) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride
PubChem CID119515772
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC NameN-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride
SMILESCC(C)C(SCc1ccccc1)C(=O)Nc1ccc(N)nc1.Cl
InChIInChI=1S/C17H21N3OS.ClH/c1-12(2)16(22-11-13-6-4-3-5-7-13)17(21)20-14-8-9-15(18)19-10-14;/h3-10,12,16H,11H2,1-2H3,(H2,18,19)(H,20,21);1H
InChIKeyYJWILNAFTOZZLY-UHFFFAOYSA-N
XLogP3.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119515097
N-(6-amino-3-pyridinyl)-2-phenylpropanamide
CID 114028846
N-(3-aminobutyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride
CID 119497245
N-(6-amino-3-pyridinyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119515245
N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide
CID 119516130
N-[2-(4-aminophenyl)ethyl]-2-benzylsulfanyl-3-methylbutanamide
CID 119548621
N-(6-amino-3-pyridinyl)-2-methylpentanamide
CID 62899385
N-(6-amino-3-pyridinyl)-2-ethoxypropanamide
CID 119516288
2-[3-[(2-benzylsulfanyl-3-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 119230981
N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119516236
N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 119516205
N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 55130465

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride (CID 119515772) is N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride is CC(C)C(SCc1ccccc1)C(=O)Nc1ccc(N)nc1.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride?
The InChIKey is YJWILNAFTOZZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.ClH/c1-12(2)16(22-11-13-6-4-3-5-7-13)17(21)20-14-8-9-15(18)19-10-14;/h3-10,12,16H,11H2,1-2H3,(H2,18,19)(H,20,21);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride?
N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride has a molecular weight of 351.90 g/mol, XLogP of 3.98, 6 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)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119515772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).