N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide

C14H16N2O3S — CID 18113853

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCSCc2ccco2)cn1
InChIInChI=1S/C14H16N2O3S/c1-18-13-5-4-11(9-16-13)14(17)15-6-8-20-10-12-3-2-7-19-12/h2-5,7,9H,6,8,10H2,1H3,(H,15,17)
InChIKeyMEIJJBJCZYDPNK-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.35
Rot. Bonds7

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide (PubChem CID 18113853) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide
PubChem CID18113853
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCSCc2ccco2)cn1
InChIInChI=1S/C14H16N2O3S/c1-18-13-5-4-11(9-16-13)14(17)15-6-8-20-10-12-3-2-7-19-12/h2-5,7,9H,6,8,10H2,1H3,(H,15,17)
InChIKeyMEIJJBJCZYDPNK-UHFFFAOYSA-N
XLogP2.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide 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

methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate
CID 5009139
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
CID 8961027
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
CID 18113780
2-[2-[(6-methoxypyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241900
3-bromo-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methoxybenzamide
CID 18113807
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 38463251
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27824397
4-(cyclopropylsulfamoyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
CID 18113864
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 34657042
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126414861

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide (CID 18113853) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NCCSCc2ccco2)cn1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is MEIJJBJCZYDPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-18-13-5-4-11(9-16-13)14(17)15-6-8-20-10-12-3-2-7-19-12/h2-5,7,9H,6,8,10H2,1H3,(H,15,17).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 18113853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).