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

C23H28BrFN4O2 — CID 55922039

IUPACN-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(C)C(NC(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H28BrFN4O2/c1-15(2)22(16-3-6-19(25)7-4-16)28-21(30)14-29-11-9-17(10-12-29)23(31)27-20-8-5-18(24)13-26-20/h3-8,13,15,17,22H,9-12,14H2,1-2H3,(H,28,30)(H,26,27,31)
InChIKeyNHRFCWBHWCNSGQ-UHFFFAOYSA-N
MW491.41 g/mol
LogP4.15
Rot. Bonds7

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

N-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 55922039) has the molecular formula C23H28BrFN4O2 and a molecular weight of 491.41 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID55922039
Molecular FormulaC23H28BrFN4O2
Molecular Weight491.41 g/mol
Exact Mass490.14
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(C)C(NC(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H28BrFN4O2/c1-15(2)22(16-3-6-19(25)7-4-16)28-21(30)14-29-11-9-17(10-12-29)23(31)27-20-8-5-18(24)13-26-20/h3-8,13,15,17,22H,9-12,14H2,1-2H3,(H,28,30)(H,26,27,31)
InChIKeyNHRFCWBHWCNSGQ-UHFFFAOYSA-N
XLogP4.15
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.41
LogP ≤ 54.15
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-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide (CID 55922039) is N-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide is CC(C)C(NC(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is NHRFCWBHWCNSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrFN4O2/c1-15(2)22(16-3-6-19(25)7-4-16)28-21(30)14-29-11-9-17(10-12-29)23(31)27-20-8-5-18(24)13-26-20/h3-8,13,15,17,22H,9-12,14H2,1-2H3,(H,28,30)(H,26,27,31).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 491.41 g/mol, XLogP of 4.15, 7 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-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55922039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).