N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

C16H17FN2O4 — CID 71548060

IUPACN-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCOc2cccc(F)c2)c(O)c1=O
InChIInChI=1S/C16H17FN2O4/c1-19-8-6-13(14(20)16(19)22)15(21)18-7-3-9-23-12-5-2-4-11(17)10-12/h2,4-6,8,10,20H,3,7,9H2,1H3,(H,18,21)
InChIKeyNXRQRTOUEUAHCD-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.43
Rot. Bonds6

About N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 71548060) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID71548060
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC NameN-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCOc2cccc(F)c2)c(O)c1=O
InChIInChI=1S/C16H17FN2O4/c1-19-8-6-13(14(20)16(19)22)15(21)18-7-3-9-23-12-5-2-4-11(17)10-12/h2,4-6,8,10,20H,3,7,9H2,1H3,(H,18,21)
InChIKeyNXRQRTOUEUAHCD-UHFFFAOYSA-N
XLogP1.43
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (CID 71548060) is N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCCCOc2cccc(F)c2)c(O)c1=O.
What is the InChIKey of N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is NXRQRTOUEUAHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-19-8-6-13(14(20)16(19)22)15(21)18-7-3-9-23-12-5-2-4-11(17)10-12/h2,4-6,8,10,20H,3,7,9H2,1H3,(H,18,21).
What are the key properties of N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenoxy)propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 71548060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).