N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

C23H28FN3O3 — CID 92632183

IUPACN-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCC(C)(CNC(=O)Cn1cccc(C(=O)NC2CCCC2)c1=O)c1ccccc1F
InChIInChI=1S/C23H28FN3O3/c1-23(2,18-11-5-6-12-19(18)24)15-25-20(28)14-27-13-7-10-17(22(27)30)21(29)26-16-8-3-4-9-16/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQQAAEGORXVWREX-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.75
Rot. Bonds7

About N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (PubChem CID 92632183) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
PubChem CID92632183
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCC(C)(CNC(=O)Cn1cccc(C(=O)NC2CCCC2)c1=O)c1ccccc1F
InChIInChI=1S/C23H28FN3O3/c1-23(2,18-11-5-6-12-19(18)24)15-25-20(28)14-27-13-7-10-17(22(27)30)21(29)26-16-8-3-4-9-16/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQQAAEGORXVWREX-UHFFFAOYSA-N
XLogP2.75
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (CID 92632183) is N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is CC(C)(CNC(=O)Cn1cccc(C(=O)NC2CCCC2)c1=O)c1ccccc1F.
What is the InChIKey of N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is QQAAEGORXVWREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-23(2,18-11-5-6-12-19(18)24)15-25-20(28)14-27-13-7-10-17(22(27)30)21(29)26-16-8-3-4-9-16/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 92632183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).