6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide

C18H13FN2O3 — CID 66799711

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1cc(=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)[nH]1
InChIInChI=1S/C18H13FN2O3/c19-12-3-7-15(8-4-12)24-14-5-1-11(2-6-14)16-9-13(22)10-17(21-16)18(20)23/h1-10H,(H2,20,23)(H,21,22)
InChIKeyKGLOBIKVCKVYQJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.07
Rot. Bonds4

About 6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 66799711) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide
PubChem CID66799711
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1cc(=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)[nH]1
InChIInChI=1S/C18H13FN2O3/c19-12-3-7-15(8-4-12)24-14-5-1-11(2-6-14)16-9-13(22)10-17(21-16)18(20)23/h1-10H,(H2,20,23)(H,21,22)
InChIKeyKGLOBIKVCKVYQJ-UHFFFAOYSA-N
XLogP3.07
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Safinamide
CID 131682
Priralfinamide
CID 5745207
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
2(1H)-Pyridinone, 5-ethyl-3-(((4-methoxyphenyl)methyl)amino)-6-methyl-
CID 454363
N2-{4-[(3-fluorobenzyl)oxy]benzyl}glycinamide
CID 23625203
Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-
CID 11722448
3-hydroxy-4-oxo-6-(4-phenoxyphenyl)-1H-pyridine-2-carboxylic acid
CID 130424264
(R)-2-[4-(2-fluorobenzyloxy)benzylamino]propanamide
CID 3038476
(S)-2-(4-(2-fluorobenzyloxy)benzylamino)propanamide
CID 9839381
2-[[4-[(2-Fluorophenyl)methoxy]phenyl]methylamino]acetamide
CID 44126076
Safinamide impurity 54
CID 44370001
2,5-Bis[(4-methoxyphenyl)methylamino]cyclohexa-2,5-diene-1,4-dione
CID 118713172

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide (CID 66799711) is 6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide is NC(=O)c1cc(=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)[nH]1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is KGLOBIKVCKVYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c19-12-3-7-15(8-4-12)24-14-5-1-11(2-6-14)16-9-13(22)10-17(21-16)18(20)23/h1-10H,(H2,20,23)(H,21,22).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 324.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 66799711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).