N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide

C18H22N4O2S — CID 119516130

IUPACN-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCSCCC(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C18H22N4O2S/c1-25-10-9-15(18(24)21-14-7-8-16(19)20-12-14)22-17(23)11-13-5-3-2-4-6-13/h2-8,12,15H,9-11H2,1H3,(H2,19,20)(H,21,24)(H,22,23)
InChIKeyRVSVJLQWPXDVCV-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.08
Rot. Bonds8

About N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide

N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 119516130) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide
PubChem CID119516130
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCSCCC(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C18H22N4O2S/c1-25-10-9-15(18(24)21-14-7-8-16(19)20-12-14)22-17(23)11-13-5-3-2-4-6-13/h2-8,12,15H,9-11H2,1H3,(H2,19,20)(H,21,24)(H,22,23)
InChIKeyRVSVJLQWPXDVCV-UHFFFAOYSA-N
XLogP2.08
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 119516205
N-(6-amino-3-pyridinyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119515245
2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide
CID 4781913
4-methylsulfanyl-2-(propanoylamino)-N-quinolin-3-ylbutanamide
CID 60523118
N-(4-ethoxyphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 24638591
N-(4-tert-butylphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 24639191
(2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(4-sulfamoylphenyl)butanamide
CID 32694138
N-(4-butylphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 42997971
N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride
CID 119515772
N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 16573534
5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid
CID 104908861
N-(6-amino-3-pyridinyl)-2-methylpentanamide
CID 62899385

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide (CID 119516130) is N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide is CSCCC(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is RVSVJLQWPXDVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-25-10-9-15(18(24)21-14-7-8-16(19)20-12-14)22-17(23)11-13-5-3-2-4-6-13/h2-8,12,15H,9-11H2,1H3,(H2,19,20)(H,21,24)(H,22,23).
What are the key properties of N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide?
N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 358.47 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 119516130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).