N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

C15H11FN4O2 — CID 75378606

IUPACN-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H11FN4O2/c16-12-3-1-2-4-13(12)20-9-11(8-18-20)19-15(22)10-5-6-14(21)17-7-10/h1-9H,(H,17,21)(H,19,22)
InChIKeyYCQDCESJUANKFT-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.95
Rot. Bonds3

About N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 75378606) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID75378606
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H11FN4O2/c16-12-3-1-2-4-13(12)20-9-11(8-18-20)19-15(22)10-5-6-14(21)17-7-10/h1-9H,(H,17,21)(H,19,22)
InChIKeyYCQDCESJUANKFT-UHFFFAOYSA-N
XLogP1.95
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 75378606) is N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YCQDCESJUANKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-12-3-1-2-4-13(12)20-9-11(8-18-20)19-15(22)10-5-6-14(21)17-7-10/h1-9H,(H,17,21)(H,19,22).
What are the key properties of N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 298.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75378606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).