ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide

C15H20N3O2S+ — CID 144889218

IUPACethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide
SMILESCC.CSc1cc(-c2ccnc(NC(C)=O)c2)c[n+](O)c1
InChIInChI=1S/C13H13N3O2S.C2H6/c1-9(17)15-13-6-10(3-4-14-13)11-5-12(19-2)8-16(18)7-11;1-2/h3-8H,1-2H3,(H-,14,15,17,18);1-2H3/p+1
InChIKeyMQOZULWRSDEOCF-UHFFFAOYSA-O
MW306.41 g/mol
LogP2.98
Rot. Bonds3

About ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide

ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide (PubChem CID 144889218) has the molecular formula C15H20N3O2S+ and a molecular weight of 306.41 g/mol. Its IUPAC name is ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Nameethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide
PubChem CID144889218
Molecular FormulaC15H20N3O2S+
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC Nameethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide
SMILESCC.CSc1cc(-c2ccnc(NC(C)=O)c2)c[n+](O)c1
InChIInChI=1S/C13H13N3O2S.C2H6/c1-9(17)15-13-6-10(3-4-14-13)11-5-12(19-2)8-16(18)7-11;1-2/h3-8H,1-2H3,(H-,14,15,17,18);1-2H3/p+1
InChIKeyMQOZULWRSDEOCF-UHFFFAOYSA-O
XLogP2.98
TPSA66.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-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-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101881
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148
[4-(2-acetamido-4-pyridinyl)phenyl]-tert-butylcarbamic acid
CID 121363350
N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide
CID 58094790
N-[4-[8-(2,4-difluorophenyl)-8-oxo-8λ6-thia-2,7,9-triazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-4-yl]-2-pyridinyl]acetamide
CID 126690730
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
CID 118249007

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide (CID 144889218) is ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide is CC.CSc1cc(-c2ccnc(NC(C)=O)c2)c[n+](O)c1.
What is the InChIKey of ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide?
The InChIKey is MQOZULWRSDEOCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13N3O2S.C2H6/c1-9(17)15-13-6-10(3-4-14-13)11-5-12(19-2)8-16(18)7-11;1-2/h3-8H,1-2H3,(H-,14,15,17,18);1-2H3/p+1.
What are the key properties of ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide?
ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-(1-hydroxy-5-methylsulfanylpyridin-1-ium-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 144889218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).