2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid

C11H14N2O4S — CID 119241900

IUPAC2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
SMILESCOc1ccc(C(=O)NCCSCC(=O)O)cn1
InChIInChI=1S/C11H14N2O4S/c1-17-9-3-2-8(6-13-9)11(16)12-4-5-18-7-10(14)15/h2-3,6H,4-5,7H2,1H3,(H,12,16)(H,14,15)
InChIKeyBWDOGEVAFYZSSG-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.64
Rot. Bonds7

About 2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid

2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid (PubChem CID 119241900) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
PubChem CID119241900
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
SMILESCOc1ccc(C(=O)NCCSCC(=O)O)cn1
InChIInChI=1S/C11H14N2O4S/c1-17-9-3-2-8(6-13-9)11(16)12-4-5-18-7-10(14)15/h2-3,6H,4-5,7H2,1H3,(H,12,16)(H,14,15)
InChIKeyBWDOGEVAFYZSSG-UHFFFAOYSA-N
XLogP0.64
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18113853
2-[2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241844
N-(2-ethylbutyl)-6-methoxypyridine-3-carboxamide
CID 113232040
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604
2-[2-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]ethylsulfanyl]acetic acid
CID 119241438
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571
6-methoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914743
2-[2-[(4-propylbenzoyl)amino]ethylsulfanyl]acetic acid
CID 119241511
N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide
CID 65112036
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid?
The IUPAC name of 2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid (CID 119241900) is 2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid is COc1ccc(C(=O)NCCSCC(=O)O)cn1.
What is the InChIKey of 2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid?
The InChIKey is BWDOGEVAFYZSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-17-9-3-2-8(6-13-9)11(16)12-4-5-18-7-10(14)15/h2-3,6H,4-5,7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid?
2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid has a molecular weight of 270.31 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid is sourced from PubChem (CID 119241900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).