N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide

C20H16N4O2S — CID 8903095

IUPACN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccco1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C20H16N4O2S/c25-19(23-18-10-12-22-24(18)14-15-6-5-13-26-15)17-9-4-11-21-20(17)27-16-7-2-1-3-8-16/h1-13H,14H2,(H,23,25)
InChIKeyZOBOSKQDYOHZFJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.32
Rot. Bonds6

About N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide

N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 8903095) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID8903095
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccco1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C20H16N4O2S/c25-19(23-18-10-12-22-24(18)14-15-6-5-13-26-15)17-9-4-11-21-20(17)27-16-7-2-1-3-8-16/h1-13H,14H2,(H,23,25)
InChIKeyZOBOSKQDYOHZFJ-UHFFFAOYSA-N
XLogP4.32
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide (CID 8903095) is N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide is O=C(Nc1ccnn1Cc1ccco1)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is ZOBOSKQDYOHZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-19(23-18-10-12-22-24(18)14-15-6-5-13-26-15)17-9-4-11-21-20(17)27-16-7-2-1-3-8-16/h1-13H,14H2,(H,23,25).
What are the key properties of N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 8903095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).