N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide

C18H18FN3O3 — CID 75435103

IUPACN-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(c3ccccc3F)C2=O)cc1=O
InChIInChI=1S/C18H18FN3O3/c1-21-10-8-12(11-16(21)23)17(24)20-14-6-4-9-22(18(14)25)15-7-3-2-5-13(15)19/h2-3,5,7-8,10-11,14H,4,6,9H2,1H3,(H,20,24)
InChIKeyBIYFLQICKSURLA-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.45
Rot. Bonds3

About N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide

N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 75435103) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID75435103
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(c3ccccc3F)C2=O)cc1=O
InChIInChI=1S/C18H18FN3O3/c1-21-10-8-12(11-16(21)23)17(24)20-14-6-4-9-22(18(14)25)15-7-3-2-5-13(15)19/h2-3,5,7-8,10-11,14H,4,6,9H2,1H3,(H,20,24)
InChIKeyBIYFLQICKSURLA-UHFFFAOYSA-N
XLogP1.45
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide (CID 75435103) is N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NC2CCCN(c3ccccc3F)C2=O)cc1=O.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is BIYFLQICKSURLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-21-10-8-12(11-16(21)23)17(24)20-14-6-4-9-22(18(14)25)15-7-3-2-5-13(15)19/h2-3,5,7-8,10-11,14H,4,6,9H2,1H3,(H,20,24).
What are the key properties of N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 75435103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).