N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide

C14H16N2O3S — CID 121132753

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C14H16N2O3S/c1-20-14-11(3-2-6-16-14)13(18)15-7-4-12(17)10-5-8-19-9-10/h2-3,5-6,8-9,12,17H,4,7H2,1H3,(H,15,18)
InChIKeyQPAODVTXNJPXHJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.25
Rot. Bonds6

About N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide

N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 121132753) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID121132753
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C14H16N2O3S/c1-20-14-11(3-2-6-16-14)13(18)15-7-4-12(17)10-5-8-19-9-10/h2-3,5-6,8-9,12,17H,4,7H2,1H3,(H,15,18)
InChIKeyQPAODVTXNJPXHJ-UHFFFAOYSA-N
XLogP2.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(furan-3-yl)-3-hydroxypropyl]-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

Related Compounds

2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 71804415
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate
CID 97106259
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 95379231
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106229
N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide
CID 121132771

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide (CID 121132753) is N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCCC(O)c1ccoc1.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is QPAODVTXNJPXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-20-14-11(3-2-6-16-14)13(18)15-7-4-12(17)10-5-8-19-9-10/h2-3,5-6,8-9,12,17H,4,7H2,1H3,(H,15,18).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 121132753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).