N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C16H19ClN4O2S — CID 166785753

IUPACN-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(NSCCCO)c2C)ccn1
InChIInChI=1S/C16H19ClN4O2S/c1-10-13(12-4-5-18-14(8-12)20-11(2)23)9-19-16(17)15(10)21-24-7-3-6-22/h4-5,8-9,21-22H,3,6-7H2,1-2H3,(H,18,20,23)
InChIKeyJHPPXALWBYBJEA-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.51
Rot. Bonds7

About N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 166785753) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID166785753
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC NameN-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(NSCCCO)c2C)ccn1
InChIInChI=1S/C16H19ClN4O2S/c1-10-13(12-4-5-18-14(8-12)20-11(2)23)9-19-16(17)15(10)21-24-7-3-6-22/h4-5,8-9,21-22H,3,6-7H2,1-2H3,(H,18,20,23)
InChIKeyJHPPXALWBYBJEA-UHFFFAOYSA-N
XLogP3.51
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 159402867
N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790
N-[4-[5-(tert-butylsulfamoyl)-4-methyl-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293487
N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293529
N-[4-[6-chloro-5-[[dimethylamino(dihydroxy)-λ4-sulfanyl]amino]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
CID 144889147
N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
CID 118246523
N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide
CID 58094790
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
CID 167981545
N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide
CID 118420569
N-[4-[2-methyl-6-(4-methyl-3-pyridinyl)-4-pyridinyl]-2-pyridinyl]acetamide
CID 149084238
ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide
CID 144889218

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 166785753) is N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(Cl)c(NSCCCO)c2C)ccn1.
What is the InChIKey of N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is JHPPXALWBYBJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-10-13(12-4-5-18-14(8-12)20-11(2)23)9-19-16(17)15(10)21-24-7-3-6-22/h4-5,8-9,21-22H,3,6-7H2,1-2H3,(H,18,20,23).
What are the key properties of N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 366.87 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-chloro-5-(3-hydroxypropylsulfanylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166785753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).