N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide

C15H18N2O3S — CID 71803955

IUPACN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOCCN(Cc1ccoc1)C(=O)c1cccnc1SC
InChIInChI=1S/C15H18N2O3S/c1-19-9-7-17(10-12-5-8-20-11-12)15(18)13-4-3-6-16-14(13)21-2/h3-6,8,11H,7,9-10H2,1-2H3
InChIKeyHUJMGLLHFSUVGS-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.69
Rot. Bonds7

About N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 71803955) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID71803955
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOCCN(Cc1ccoc1)C(=O)c1cccnc1SC
InChIInChI=1S/C15H18N2O3S/c1-19-9-7-17(10-12-5-8-20-11-12)15(18)13-4-3-6-16-14(13)21-2/h3-6,8,11H,7,9-10H2,1-2H3
InChIKeyHUJMGLLHFSUVGS-UHFFFAOYSA-N
XLogP2.69
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-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

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide (CID 71803955) is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide is COCCN(Cc1ccoc1)C(=O)c1cccnc1SC.
What is the InChIKey of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is HUJMGLLHFSUVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-19-9-7-17(10-12-5-8-20-11-12)15(18)13-4-3-6-16-14(13)21-2/h3-6,8,11H,7,9-10H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 71803955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).