N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide

C18H23N3O2S — CID 4801975

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C18H23N3O2S/c1-24-18-14(7-5-9-19-18)17(22)20-13-15(16-8-6-12-23-16)21-10-3-2-4-11-21/h5-9,12,15H,2-4,10-11,13H2,1H3,(H,20,22)
InChIKeyGAVVKPTXBFHYNR-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.35
Rot. Bonds6

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 4801975) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID4801975
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C18H23N3O2S/c1-24-18-14(7-5-9-19-18)17(22)20-13-15(16-8-6-12-23-16)21-10-3-2-4-11-21/h5-9,12,15H,2-4,10-11,13H2,1H3,(H,20,22)
InChIKeyGAVVKPTXBFHYNR-UHFFFAOYSA-N
XLogP3.35
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 4801975) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is GAVVKPTXBFHYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-24-18-14(7-5-9-19-18)17(22)20-13-15(16-8-6-12-23-16)21-10-3-2-4-11-21/h5-9,12,15H,2-4,10-11,13H2,1H3,(H,20,22).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 4801975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).