N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

C20H22BrFN4O2 — CID 60548124

IUPACN-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)NCc1ccccc1F
InChIInChI=1S/C20H22BrFN4O2/c21-16-5-6-18(23-12-16)25-20(28)14-7-9-26(10-8-14)13-19(27)24-11-15-3-1-2-4-17(15)22/h1-6,12,14H,7-11,13H2,(H,24,27)(H,23,25,28)
InChIKeyOWNGYELCADRYEG-UHFFFAOYSA-N
MW449.32 g/mol
LogP2.95
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 60548124) has the molecular formula C20H22BrFN4O2 and a molecular weight of 449.32 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID60548124
Molecular FormulaC20H22BrFN4O2
Molecular Weight449.32 g/mol
Exact Mass448.09
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)NCc1ccccc1F
InChIInChI=1S/C20H22BrFN4O2/c21-16-5-6-18(23-12-16)25-20(28)14-7-9-26(10-8-14)13-19(27)24-11-15-3-1-2-4-17(15)22/h1-6,12,14H,7-11,13H2,(H,24,27)(H,23,25,28)
InChIKeyOWNGYELCADRYEG-UHFFFAOYSA-N
XLogP2.95
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 60548124) is N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide is O=C(CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)NCc1ccccc1F.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is OWNGYELCADRYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrFN4O2/c21-16-5-6-18(23-12-16)25-20(28)14-7-9-26(10-8-14)13-19(27)24-11-15-3-1-2-4-17(15)22/h1-6,12,14H,7-11,13H2,(H,24,27)(H,23,25,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 449.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 60548124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).