6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide

C21H18N4O3 — CID 52831231

IUPAC6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccnn1CCc1ccccc1)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C21H18N4O3/c26-20-16(8-9-17(23-20)18-7-4-14-28-18)21(27)24-19-10-12-22-25(19)13-11-15-5-2-1-3-6-15/h1-10,12,14H,11,13H2,(H,23,26)(H,24,27)
InChIKeyDMYWLBTVCFKNRQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.33
Rot. Bonds6

About 6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide

6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide (PubChem CID 52831231) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide
PubChem CID52831231
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccnn1CCc1ccccc1)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C21H18N4O3/c26-20-16(8-9-17(23-20)18-7-4-14-28-18)21(27)24-19-10-12-22-25(19)13-11-15-5-2-1-3-6-15/h1-10,12,14H,11,13H2,(H,23,26)(H,24,27)
InChIKeyDMYWLBTVCFKNRQ-UHFFFAOYSA-N
XLogP3.33
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide (CID 52831231) is 6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide is O=C(Nc1ccnn1CCc1ccccc1)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide?
The InChIKey is DMYWLBTVCFKNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-20-16(8-9-17(23-20)18-7-4-14-28-18)21(27)24-19-10-12-22-25(19)13-11-15-5-2-1-3-6-15/h1-10,12,14H,11,13H2,(H,23,26)(H,24,27).
What are the key properties of 6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide?
6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 52831231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).