N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide

C17H19FN2O3 — CID 71810608

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOC(C)(CNC(=O)c1cccn(C)c1=O)c1ccccc1F
InChIInChI=1S/C17H19FN2O3/c1-17(23-3,13-8-4-5-9-14(13)18)11-19-15(21)12-7-6-10-20(2)16(12)22/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyITFJKYZLEQVAOO-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 71810608) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID71810608
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOC(C)(CNC(=O)c1cccn(C)c1=O)c1ccccc1F
InChIInChI=1S/C17H19FN2O3/c1-17(23-3,13-8-4-5-9-14(13)18)11-19-15(21)12-7-6-10-20(2)16(12)22/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyITFJKYZLEQVAOO-UHFFFAOYSA-N
XLogP1.82
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 71810608) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide is COC(C)(CNC(=O)c1cccn(C)c1=O)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is ITFJKYZLEQVAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-17(23-3,13-8-4-5-9-14(13)18)11-19-15(21)12-7-6-10-20(2)16(12)22/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71810608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).