N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide

C16H11FN4O3 — CID 58337549

IUPACN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cc(=O)cc[nH]1
InChIInChI=1S/C16H11FN4O3/c17-10-3-11(21-16(23)15-6-12(22)1-2-20-15)5-13(4-10)24-14-7-18-9-19-8-14/h1-9H,(H,20,22)(H,21,23)
InChIKeyCZOJVEALAPBNIS-UHFFFAOYSA-N
MW326.29 g/mol
LogP2.35
Rot. Bonds4

About N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 58337549) has the molecular formula C16H11FN4O3 and a molecular weight of 326.29 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
PubChem CID58337549
Molecular FormulaC16H11FN4O3
Molecular Weight326.29 g/mol
Exact Mass326.08
IUPAC NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cc(=O)cc[nH]1
InChIInChI=1S/C16H11FN4O3/c17-10-3-11(21-16(23)15-6-12(22)1-2-20-15)5-13(4-10)24-14-7-18-9-19-8-14/h1-9H,(H,20,22)(H,21,23)
InChIKeyCZOJVEALAPBNIS-UHFFFAOYSA-N
XLogP2.35
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide (CID 58337549) is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide is O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cc(=O)cc[nH]1.
What is the InChIKey of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is CZOJVEALAPBNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O3/c17-10-3-11(21-16(23)15-6-12(22)1-2-20-15)5-13(4-10)24-14-7-18-9-19-8-14/h1-9H,(H,20,22)(H,21,23).
What are the key properties of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide?
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 326.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 58337549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).