N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

C23H23BrFN5O — CID 110095963

IUPACN-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1c(F)cccc1Br
InChIInChI=1S/C23H23BrFN5O/c24-17-5-3-6-18(25)23(17)29-22(31)15-30-13-10-16(11-14-30)19-7-4-9-21(27-19)28-20-8-1-2-12-26-20/h1-9,12,16H,10-11,13-15H2,(H,29,31)(H,26,27,28)
InChIKeyVHPPSMQQOSLIFW-UHFFFAOYSA-N
MW484.37 g/mol
LogP4.94
Rot. Bonds6

About N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110095963) has the molecular formula C23H23BrFN5O and a molecular weight of 484.37 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
PubChem CID110095963
Molecular FormulaC23H23BrFN5O
Molecular Weight484.37 g/mol
Exact Mass483.11
IUPAC NameN-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1c(F)cccc1Br
InChIInChI=1S/C23H23BrFN5O/c24-17-5-3-6-18(25)23(17)29-22(31)15-30-13-10-16(11-14-30)19-7-4-9-21(27-19)28-20-8-1-2-12-26-20/h1-9,12,16H,10-11,13-15H2,(H,29,31)(H,26,27,28)
InChIKeyVHPPSMQQOSLIFW-UHFFFAOYSA-N
XLogP4.94
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.37
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (CID 110095963) is N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1c(F)cccc1Br.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The InChIKey is VHPPSMQQOSLIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrFN5O/c24-17-5-3-6-18(25)23(17)29-22(31)15-30-13-10-16(11-14-30)19-7-4-9-21(27-19)28-20-8-1-2-12-26-20/h1-9,12,16H,10-11,13-15H2,(H,29,31)(H,26,27,28).
What are the key properties of N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 484.37 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110095963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).