N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

C16H12FN5O3 — CID 59733359

IUPACN-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H12FN5O3/c17-10-2-4-11(5-3-10)20-16(25)14-12(8-19-22-14)21-15(24)9-1-6-13(23)18-7-9/h1-8H,(H,18,23)(H,19,22)(H,20,25)(H,21,24)
InChIKeyBIGAWPDVSHNMDF-UHFFFAOYSA-N
MW341.30 g/mol
LogP1.74
Rot. Bonds4

About N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 59733359) has the molecular formula C16H12FN5O3 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID59733359
Molecular FormulaC16H12FN5O3
Molecular Weight341.30 g/mol
Exact Mass341.09
IUPAC NameN-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H12FN5O3/c17-10-2-4-11(5-3-10)20-16(25)14-12(8-19-22-14)21-15(24)9-1-6-13(23)18-7-9/h1-8H,(H,18,23)(H,19,22)(H,20,25)(H,21,24)
InChIKeyBIGAWPDVSHNMDF-UHFFFAOYSA-N
XLogP1.74
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 59733359) is N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BIGAWPDVSHNMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O3/c17-10-2-4-11(5-3-10)20-16(25)14-12(8-19-22-14)21-15(24)9-1-6-13(23)18-7-9/h1-8H,(H,18,23)(H,19,22)(H,20,25)(H,21,24).
What are the key properties of N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 341.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59733359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).